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3-Chlorophenyl isothiocyanate - 98%, high purity , CAS No.2392-68-9

  • ≥98%
Item Number
C140586
Grouped product items
SKUSizeAvailabilityPrice Qty
C140586-5g
5g
Available within 4-8 weeks(?)
Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!
$33.90
C140586-25g
25g
2
$104.90
C140586-100g
100g
1
$376.90

Basic Description

Synonyms3-Chlorophenyl isothiocyanate | 2392-68-9 | 1-Chloro-3-isothiocyanatobenzene | 3-Chlorophenylisothiocyanate | Benzene, 1-chloro-3-isothiocyanato- | Isothiocyanic acid, 3-chlorophenyl ester | Isothiocyanic acid, m-chlorophenyl ester | 1-Chloro-3-isothiocyanato-benzene | m
Specifications & Purity≥98%
Storage TempStore at 2-8°C,Argon charged
Shipped InWet ice
Product Description

3-Chlorophenyl isothiocyanate has been used in the synthesis of: . 2-[(3-chlorophenyl)amino]naphtho[2,1-b]furo-5H-[3,2-d][1,3,4]thiadiazolo[3,2-i]pyrimidin-5-one . (S)-N-[3-{N-(3-chlorophenyl)-4-(3-fluorophenyl)piperazine]-1-carbothioamido}-2-oxooxazolidin-5-yl)methyl]acetamide

AI Insight

Names and Identifiers

IUPAC Name 1-chloro-3-isothiocyanatobenzene
INCHI InChI=1S/C7H4ClNS/c8-6-2-1-3-7(4-6)9-5-10/h1-4H
InChi Key WGXCKFMVBAOIFH-UHFFFAOYSA-N
Canonical SMILES C1=CC(=CC(=C1)Cl)N=C=S
Isomeric SMILES C1=CC(=CC(=C1)Cl)N=C=S
WGK Germany 3
RTECS NX8474500
PubChem CID 75449
UN Number 2810
Packing Group II
Molecular Weight 169.64
Beilstein 636856

Certificates(CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot NumberCertificate TypeDateItem
D1726106Certificate of AnalysisNov 04, 2024 C140586
C2223288Certificate of AnalysisFeb 14, 2022 C140586
C2223295Certificate of AnalysisFeb 14, 2022 C140586
C2223299Certificate of AnalysisFeb 14, 2022 C140586

Chemical and Physical Properties

SensitivityMoisture Sensitive
Refractive Index1.6585
Flash Point(°F)>230°F
Flash Point(°C)>110℃
Boil Point(°C)249-250℃
Molecular Weight169.630 g/mol
XLogP34.100
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass168.975 Da
Monoisotopic Mass168.975 Da
Topological Polar Surface Area44.500 Ų
Heavy Atom Count10
Formal Charge0
Complexity154.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1

Safety and Hazards(GHS)

Pictogram(s) GHS05,   GHS07
Signal Danger
Hazard Statements

H315:Causes skin irritation

H319:Causes serious eye irritation

H335:May cause respiratory irritation

H314:Causes severe skin burns and eye damage

H302:Harmful if swallowed

H312:Harmful in contact with skin

H332:Harmful if inhaled

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.

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.

P301+P330+P331:IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.

P304+P340:IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P363:Wash contaminated clothing before reuse.

P403+P233:Store in a well-ventilated place. Keep container tightly closed.

P362+P364:Take off contaminated clothing and wash it before reuse.

P330:Rinse mouth.

P264+P265:Wash hands [and …] thoroughly after handling. Do not touch eyes.

P301+P317:IF SWALLOWED: Get medical help.

P305+P354+P338:IF IN EYES: Immediately rinse with water for several minutes. Remove contact lenses if present and easy to do. Continue rinsing.

P317:Get emergency medical help.

P337+P317:If eye irritation persists: Get medical help.

P332+P317:If skin irritation occurs: Get medical help.

P302+P361+P354:IF ON SKIN: Take off Immediately all contaminated clothing. Immediately rinse with water for several minutes.

P316:Get emergency medical help immediately.

P319:Get medical help if you feel unwell.

WGK Germany 3
RTECS NX8474500
Class 6.1

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