Cyclohexyl Isothiocyanate

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Names

[ CAS No. ]:
1122-82-3

[ Name ]:
Cyclohexyl Isothiocyanate

[Synonym ]:
isothiocyanatocyclohexane
Isothiocyanic Acid Cyclohexyl Ester
CYCLOHEXYL ISOTHIOCYANATE
MFCD00003841
EINECS 214-361-9

Chemical & Physical Properties

[ Density]:
1.033

[ Boiling Point ]:
219 °C

[ Melting Point ]:
85 °C

[ Molecular Formula ]:
C7H11NS

[ Molecular Weight ]:
141.23400

[ Flash Point ]:
95 °C

[ Exact Mass ]:
141.06100

[ PSA ]:
44.45000

[ LogP ]:
2.42190

[ Vapour Pressure ]:
0.18mmHg at 25°C

[ Index of Refraction ]:
1.536-1.538

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NX8480000
CHEMICAL NAME :
Isothiocyanic acid, cyclohexyl ester
CAS REGISTRY NUMBER :
1122-82-3
LAST UPDATED :
199701
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C7-H11-N-S
MOLECULAR WEIGHT :
141.25
WISWESSER LINE NOTATION :
L6TJ ANCS

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
300 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 ]:

GHS05, GHS08

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H314-H317-H334

[ Precautionary Statements ]:
P261-P280-P305 + P351 + P338-P310

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

[ Hazard Codes ]:
Xn:Harmful;

[ Risk Phrases ]:
R20/21/22;R36/37/38

[ Safety Phrases ]:
S45-S36/37/39-S26-S39-S23

[ RIDADR ]:
2922

[ WGK Germany ]:
3.0

[ RTECS ]:
NX8480000

[ Packaging Group ]:
III

[ Hazard Class ]:
8

[ HS Code ]:
2930909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • cyclohexylcarbamodithioic acid,N,N-diethylethanamine
  • Thiophosgene
  • Cyclohexylamine
  • Isocyanocyclohexane
  • Phenyl chlorothionocarbonate
  • o-phenyl cyclohexylcarbamothioate
  • Carbon disulphide
  • 4-methylbenzenecarbodithioic acid
  • cyclohexyl isoselenocyanate

DownStream

  • 5H-Tetrazole-5-thione,1-cyclohexyl-1,2-dihydro-
  • Dicyclohexylcarbodiimide
  • 1-butyl-3-cyclohexylthiourea
  • 1-cyclohexyl-3-(pyridin-2-ylmethylideneamino)thiourea
  • 1,3-Dicyclohexylurea
  • Cyclohexylamine
  • 1,1-dichloro-N-cyclohexylmethanimine
  • N-Cyclohexylbenzothiazole-2-amine
  • 3H-1,2,4-Triazole-3-thione,4-cyclohexyl-2,4-dihydro-5-(4-pyridinyl)-
  • 4-Pyridinecarboxylicacid, 2-[(cyclohexylamino)thioxomethyl]hydrazide

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%

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Related Compounds

  • cyclohexyl 5-amino-4-oxopentanoate
  • (cyclohexyl)OSiPh2H
  • cyclohexyl 2-diazo-3-oxobutanoate
  • Cyclohexyl-pyridyl-(2)-disulfid
  • cyclohexyl-(3-methyl-butylidene)-amine
  • cyclohexyl 4-(4-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
  • 1-(3-(2,6-Dimethylmorpholine-4-carbonyl)azetidin-1-yl)ethanone
  • (1-(3,4-Difluorobenzoyl)azetidin-3-yl)(4-(methylsulfonyl)piperazin-1-yl)methanone
  • 1-(3,4-difluorobenzoyl)-N-(3-(2-methylthiazol-4-yl)phenyl)azetidine-3-carboxamide
  • 1-(3,4-difluorobenzoyl)-N-(2-methylbenzo[d]thiazol-5-yl)azetidine-3-carboxamide
  • 1-(3,4-difluorobenzoyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]azetidine-3-carboxamide
  • 1-(3,4-difluorobenzoyl)-N-(1H-indazol-6-yl)azetidine-3-carboxamide
  • 1-(3-(6-Methoxy-1,2,3,4-tetrahydroisoquinoline-2-carbonyl)azetidin-1-yl)ethanone
  • N-(3-(tert-butyl)isoxazol-5-yl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
  • N-(4-(1H-tetrazol-1-yl)phenyl)-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
  • 1-(pyrazine-2-carbonyl)-N-(4,5,6,7-tetrahydrobenzo[c]isoxazol-3-yl)azetidine-3-carboxamide
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