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m-Nitrotoluene - Guaranteed Reagent,99.0%, high purity , CAS No.99-08-1

3 Citations

≥99%

CAS#: 99-08-1
Formula: C₇H₇NO₂
Molecular Weight: 137.14
Beilstein Registry Number: 1906910
EC Number: 202-728-6
MDL number: MFCD00007265
PubChem CID: 7422
PubChem SID: 488180423

Item Number

N105608

Grouped product items
SKU	Size	Availability	Price	Qty
N105608-100ml	100ml	In stock	$32.90
N105608-500ml	500ml	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$105.90

Basic Description

Synonyms	3-Nitrotoluene \| 1-Methyl-3-nitrobenzene \| m-Nitrotoluene \| 99-08-1 \| 3-Nitrotoluol \| Benzene, 1-methyl-3-nitro- \| m-Methylnitrobenzene \| Toluene, m-nitro- \| 3-Methylnitrobenzene \| Nitrotoluene, m- \| 3-Nitrotoluene, 99% \| 3-Methyl-1-nitrobenzene \| 1-methyl-3-nitro-benzene \| CHEMBL
Specifications & Purity	GR, ≥99%
Shipped In	Normal
Grade	GR

Associated Targets(Human)

ACHE Tclin Acetylcholinesterase (1 Activities)

Discover Target: ACHE

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

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

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

ACHE Tclin Acetylcholinesterase (18204 Activities)

Discover Target: ACHE

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

TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

Discover Target: TP53

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

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

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

CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

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

Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

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

Names and Identifiers

Pubchem Sid	488180423
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488180423
IUPAC Name	1-methyl-3-nitrobenzene
INCHI	InChI=1S/C7H7NO2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3
InChi Key	QZYHIOPPLUPUJF-UHFFFAOYSA-N
Canonical SMILES	CC1=CC(=CC=C1)[N+](=O)[O-]
Isomeric SMILES	CC1=CC(=CC=C1)[N+](=O)[O-]
WGK Germany	2
RTECS	XT2975000
PubChem CID	7422
UN Number	1664
Packing Group	II
Molecular Weight	137.14
Beilstein	1906910
Reaxy-Rn	1906910

Certificates

Certificate of Analysis(COA)

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7 results found

Lot Number	Certificate Type	Date	Item
B2429382	Certificate of Analysis	Mar 25, 2024	N105608
B2429383	Certificate of Analysis	Mar 25, 2024	N105608
B2429384	Certificate of Analysis	Mar 25, 2024	N105608
B2429385	Certificate of Analysis	Mar 25, 2024	N105608
B2327412	Certificate of Analysis	Feb 15, 2023	N105608
B2327413	Certificate of Analysis	Feb 15, 2023	N105608
B2327421	Certificate of Analysis	Feb 15, 2023	N105608

Chemical and Physical Properties

Freezing Point(°C)	16 °C
Refractive Index	1.54
Flash Point(°F)	208 °F
Flash Point(°C)	98 °C
Boil Point(°C)	232°C
Melt Point(°C)	16 °C

Safety and Hazards(GHS)

Pictogram(s)	GHS06, GHS08, GHS09
Signal	Warning
Hazard Statements	H301:Toxic if swallowed H311:Toxic in contact with skin H331:Toxic if inhaled H373:Causes damage to organs through prolonged or repeated exposure H411:Toxic to aquatic life with long lasting effects H302:Harmful if swallowed
Precautionary Statements	P261:Avoid breathing dust/fume/gas/mist/vapors/spray. 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. P260:Do not breathe dust/fume/gas/mist/vapors/spray. 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. P391:Collect spillage. P330:Rinse mouth. P361+P364:Take off immediately all contaminated clothing and wash it before reuse. P301+P316:IF SWALLOWED: Get emergency medical help immediately. P301+P317:IF SWALLOWED: Get medical help. P316:Get emergency medical help immediately. P319:Get medical help if you feel unwell.
WGK Germany	2
RTECS	XT2975000
Reaxy-Rn	1906910
Class	6.1
Merck Index	6650

Citations of This Product

1. Song Jing, Cui Yongjin, Wang Yujun, Wang Kai, Deng Jian, Luo Guangsheng. (2023) Accurate determination of the kinetics of toluene nitration in a liquid–liquid microflow system. Journal of Flow Chemistry, 13 (3): (311-323). [PMID:]
2. Jiale Wu, Liguo Wang, Shuang Xu, Yan Cao, Ziqiang Han, Huiquan Li. (2023) Sequential hydrogenation of nitroaromatics to alicyclic amines via highly-dispersed Ru–Pd nanoparticles anchored on air-exfoliated C3N4 nanosheets. RSC Advances, 13 (3): (2024-2035). [PMID:36712606]
3. Guo Pan, Zhan Yuzhong, Yang Yanliang, Lu Tianliang. (2022) Preparation of COFs Supported Pd as an Efficient Catalyst for the Hydrogenation of Aromatic Nitro. CATALYSIS LETTERS, 152 (12): (3725-3732). [PMID:]

References

1. Song Jing, Cui Yongjin, Wang Yujun, Wang Kai, Deng Jian, Luo Guangsheng. (2023) Accurate determination of the kinetics of toluene nitration in a liquid–liquid microflow system. Journal of Flow Chemistry, 13 (3): (311-323). [PMID:]
2. Jiale Wu, Liguo Wang, Shuang Xu, Yan Cao, Ziqiang Han, Huiquan Li. (2023) Sequential hydrogenation of nitroaromatics to alicyclic amines via highly-dispersed Ru–Pd nanoparticles anchored on air-exfoliated C3N4 nanosheets. RSC Advances, 13 (3): (2024-2035). [PMID:36712606]
3. Guo Pan, Zhan Yuzhong, Yang Yanliang, Lu Tianliang. (2022) Preparation of COFs Supported Pd as an Efficient Catalyst for the Hydrogenation of Aromatic Nitro. CATALYSIS LETTERS, 152 (12): (3725-3732). [PMID:]

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