3-chlorophenyl isothiocyanate

Suppliers

Names

[ CAS No. ]:
2392-68-9

[ Name ]:
3-chlorophenyl isothiocyanate

[Synonym ]:
Isothiocyanic acid,3-chlorophenyl ester
MFCD00004805
3-Chlorophenylisothiocyanate
Isothiocyanic acid,m-chlorophenyl ester
m-chlorophenyl isothiocyanate
1-chloro-3-isothiocyanato-benzene
Benzene,1-chloro-3-isothiocyanato

Chemical & Physical Properties

[ Density]:
1.292

[ Boiling Point ]:
249-250 °C

[ Molecular Formula ]:
C7H4ClNS

[ Molecular Weight ]:
169.63100

[ Flash Point ]:
>110°C

[ Exact Mass ]:
168.97500

[ PSA ]:
44.45000

[ LogP ]:
3.07430

[ Vapour Pressure ]:
0.0361mmHg at 25°C

[ Index of Refraction ]:
1.658-1.66

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NX8474500
CHEMICAL NAME :
Isothiocyanic acid, 3-chlorophenyl ester
CAS REGISTRY NUMBER :
2392-68-9
BEILSTEIN REFERENCE NO. :
0636856
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C7-H4-Cl-N-S
MOLECULAR WEIGHT :
169.63
WISWESSER LINE NOTATION :
SCNR CG

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 16,870,1966

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302 + H312 + H332-H315-H319-H335

[ Precautionary Statements ]:
P261-P280-P305 + P351 + P338

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
Xn:Harmful;

[ Risk Phrases ]:
R23/24/25;R36/37/38

[ Safety Phrases ]:
S45-S36/37/39-S26-S37/39

[ RIDADR ]:
2810

[ RTECS ]:
NX8474500

[ Packaging Group ]:
III

[ Hazard Class ]:
8

[ HS Code ]:
2930909090

Synthetic Route

Precursor & DownStream

Precursor

  • Carbon disulphide
  • 3-Chloroaniline
  • Thiophosgene
  • ALPHA,3-DICHLOROBENZALDOXIME
  • Thiourea,N,N'-bis(3-chlorophenyl)-
  • N-(2,4-dibromo-phenyl)-N'-phenyl-thiourea
  • O-(4-methoxyphenyl) N-3-chlorophenylthioncarbamate

DownStream

  • 1-(3-CHLOROPHENYL)-2-THIOUREA
  • Hydrazinecarbothioamide,N-(3-chlorophenyl)-
  • 3-Chlorophenyl isocyanate
  • 3-(3-chlorophenyl)-1-(pyridine-4-carbonylamino)thiourea
  • 2-metyl-5-chloro-benzothiazole
  • 2-Benzothiazolamine,5-chloro-N-methyl-(9CI)
  • 1H-Tetrazol-5-amine,1-(3-chlorophenyl)-
  • Thiourea,N,N'-bis(3-chlorophenyl)-
  • N-(3-chlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
  • N-(3-chlorophenyl)-N-phenyl-Thiourea

Customs

[ HS Code ]: 2930909090

[ Summary ]:
2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Articles

Synthesis and evaluation of urea and thiourea derivatives of oxazolidinones as antibacterial agents.

Chem. Pharm. Bull. 55(2) , 236-40, (2007)

Urea and thiourea derivatives of oxazolidinones were synthesized and their inhibitory activity (MIC) was determined on the bacterial strains which includes clinical isolates and quality control organi...

Synthesis and antimicrobial activity of novel naphtho [2, 1-b] furo-5H-[3, 2-d][1, 3, 4] thiadiazolo [3, 2-a] pyrimidin-5-ones. Ravindra KC, et al.

ARKIVOC 11(1) , (2008)


More Articles


Related Compounds

  • 4-Bromo-3-chlorophenyl isothiocyanate
  • (3-chlorophenyl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
  • (3-chlorophenyl)-(3-hydroxyphenyl)methanone
  • (3-chlorophenyl) cyclohexanecarboxylate
  • (3-chlorophenyl)-triphenylantimony,hydrate
  • (3-chlorophenyl)-(3-methylphenyl)methanone
  • 4-Nitro-3-(piperidin-1-yl)pyridine 1-oxide
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • N-(3-fluorophenyl)-2-((1,3,6-trimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidin-5-yl)thio)acetamide
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • N-(4-(benzo[d]oxazol-2-yl)phenyl)-2-(4-(methylsulfonyl)phenyl)acetamide
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • Ethyl 3-(4-(benzyloxy)phenyl)-2-fluoroacrylate
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide