Grouped product items

SKU

Size

Availability

Price

Qty

N104173-25g

25g

In stock

$35.90

N104173-100g

100g

In stock

$126.90

N104173-500g

500g

Available within 4-8 weeks(?)

$569.90

Basic Description

Synonyms	3-NITROBENZALDEHYDE \| 99-61-6 \| m-Nitrobenzaldehyde \| Benzaldehyde, 3-nitro- \| 3-Formylnitrobenzene \| meta-nitrobenzaldehyde \| Benzaldehyde, m-nitro- \| 5-Nitrobenzaldehyde \| 3-nitro-benzaldehyde \| MFCD00007249 \| G4O92KO71Z \| DTXSID8049383 \| NSC-5504 \| CCRIS 1784 \| NSC 5504 \| EINECS 20
Specifications & Purity	≥98%
Storage Temp	Argon charged
Shipped In	Normal

Associated Targets(Human)

SLC6A1 Tclin Sodium- and chloride-dependent GABA transporter 1 (0 Activities)

Discover Target: SLC6A1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

MPO Tchem Myeloperoxidase (0 Activities)

Discover Target: MPO

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

SLC6A1 Tclin GABA transporter 1 (308 Activities)

Discover Target: SLC6A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MPO Tchem Myeloperoxidase (1002 Activities)

Discover Target: MPO

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Mus musculus (284745 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Names and Identifiers

IUPAC Name	3-nitrobenzaldehyde
INCHI	InChI=1S/C7H5NO3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-5H
InChi Key	ZETIVVHRRQLWFW-UHFFFAOYSA-N
Canonical SMILES	C1=CC(=CC(=C1)[N+](=O)[O-])C=O
Isomeric SMILES	C1=CC(=CC(=C1)[N+](=O)[O-])C=O
WGK Germany	3
RTECS	CU7250000
PubChem CID	7449
Molecular Weight	151.12
Beilstein	386795
Reaxy-Rn	386795

Certificates

Certificate of Analysis(COA)

Enter Lot Number to search for COA:

To view the certificate results,please click on a Lot number.For Lot numbers from past orders,please use our order status section

13 results found

Lot Number	Certificate Type	Date	Item
H2127534	Certificate of Analysis	Jun 05, 2023	N104173
H2127537	Certificate of Analysis	Jun 05, 2023	N104173
H2127538	Certificate of Analysis	Jun 05, 2023	N104173
K1512021	Certificate of Analysis	May 08, 2023	N104173
E2305711	Certificate of Analysis	Mar 13, 2023	N104173
E2305713	Certificate of Analysis	Mar 13, 2023	N104173
E2305714	Certificate of Analysis	Mar 13, 2023	N104173
E2305715	Certificate of Analysis	Mar 13, 2023	N104173
E2305717	Certificate of Analysis	Mar 13, 2023	N104173
E2305725	Certificate of Analysis	Mar 13, 2023	N104173
B2328341	Certificate of Analysis	Mar 06, 2023	N104173
L2220097	Certificate of Analysis	Dec 27, 2022	N104173
D2007101	Certificate of Analysis	Jan 22, 2022	N104173

Chemical and Physical Properties

Solubility	Slightly soluble in water.
Sensitivity	Air sensitive.
Boil Point(°C)	164°C
Melt Point(°C)	58°C

Safety and Hazards(GHS)

Pictogram(s)	GHS09, GHS07
Signal	Warning
Hazard Statements	H315:Causes skin irritation H319:Causes serious eye irritation H335:May cause respiratory irritation H411:Toxic to aquatic life with long lasting effects H302:Harmful if swallowed
Precautionary Statements	P261:Avoid breathing dust/fume/gas/mist/vapors/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of water. P321:Specific treatment (see ... on this label). P405:Store locked up. P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P271:Use only outdoors or in a well-ventilated area. P270:Do not eat, drink or smoke when using this product. P304+P340:IF INHALED: Remove person to fresh air and keep comfortable for breathing. P403+P233:Store in a well-ventilated place. Keep container tightly closed. P362+P364:Take off contaminated clothing and wash it before reuse. P391:Collect spillage. P330:Rinse mouth. P264+P265:Wash hands [and …] thoroughly after handling. Do not touch eyes. P301+P317:IF SWALLOWED: Get medical help. P337+P317:If eye irritation persists: Get medical help. P332+P317:If skin irritation occurs: Get medical help. P319:Get medical help if you feel unwell.
WGK Germany	3
RTECS	CU7250000
Reaxy-Rn	386795

Citations of This Product

1. Tong Wang, Siyu Zhu, Xueyan Nan, Liang He, Pengli Bai, Zhizhou Liu. (2023) A “turn off” sensor for highly sensitive and selective detection of syringaldehyde typed aromatic aldehydes based on an amino-functionalized metal–organic framework. MICROCHEMICAL JOURNAL, 193 (109014). [PMID:]
2. Kai Sun, Yuewen Shao, Cong Ming, Mengjiao Fan, Huailin Fan, Lijun Zhang, Shu Zhang, Yi Wang, Guozhu Chen, Xun Hu. (2023) Copper-based catalysts synthesized during hydrogenation. CHEMICAL ENGINEERING SCIENCE, 276 (118819). [PMID:]
3. Xiaoqing Yuan, Ju Liu, Yanlei Wang, Xingming Jie, Jingyu Qin, Hongyan He. (2023) Ionic liquids enable highly efficient Knoevenagel reaction by dual-responsive emulsion microreactor. CHEMICAL ENGINEERING JOURNAL, 451 (138941). [PMID:]
4. Hui Li,Zhengyu Zhang,Xiaojing Yang,Xu Mao,Ying Wang,Jian Wang,Ying Peng,Jiang Zheng. (2019-02-20) Electron Deficiency of Nitro Group Determines Hepatic Cytotoxicity of Nitrofurantoin.. Chemical research in toxicology, 32 ((4)): (681-690). [PMID:30779552]

References

1. V Karunakaran, V Balachandran,. (2012-09-11) FT-IR, FT-Raman spectra, NBO, HOMO-LUMO and thermodynamic functions of 4-chloro-3-nitrobenzaldehyde based on ab initio HF and DFT calculations.. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, ( 229-239 ). [PMID:22958978]
2. Tong Wang, Siyu Zhu, Xueyan Nan, Liang He, Pengli Bai, Zhizhou Liu. (2023) A “turn off” sensor for highly sensitive and selective detection of syringaldehyde typed aromatic aldehydes based on an amino-functionalized metal–organic framework. MICROCHEMICAL JOURNAL, 193 (109014). [PMID:]
3. Kai Sun, Yuewen Shao, Cong Ming, Mengjiao Fan, Huailin Fan, Lijun Zhang, Shu Zhang, Yi Wang, Guozhu Chen, Xun Hu. (2023) Copper-based catalysts synthesized during hydrogenation. CHEMICAL ENGINEERING SCIENCE, 276 (118819). [PMID:]
4. Xiaoqing Yuan, Ju Liu, Yanlei Wang, Xingming Jie, Jingyu Qin, Hongyan He. (2023) Ionic liquids enable highly efficient Knoevenagel reaction by dual-responsive emulsion microreactor. CHEMICAL ENGINEERING JOURNAL, 451 (138941). [PMID:]
5. Hui Li,Zhengyu Zhang,Xiaojing Yang,Xu Mao,Ying Wang,Jian Wang,Ying Peng,Jiang Zheng. (2019-02-20) Electron Deficiency of Nitro Group Determines Hepatic Cytotoxicity of Nitrofurantoin.. Chemical research in toxicology, 32 ((4)): (681-690). [PMID:30779552]

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3-Nitrobenzaldehyde - 98%, high purity , CAS No.99-61-6