cyclohexylisocyanate

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Names

[ CAS No. ]:
3173-53-3

[ Name ]:
cyclohexylisocyanate

[Synonym ]:
cyclohexyl-NCO
chi
Cyclohexyl isocyanate
cyclohexylisocyanate
Cyclohexane, isocyanato-
isocyanato-cyclohexan
Isocyanatocyclohexane
Isocyanic Acid Cyclohexyl Ester
EINECS 221-639-3
c-hexylisocyanate
cyclohexanyl isocyanate
cyclohexyl
MFCD00003840
cyclohexane,isocyanato

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
169.0±9.0 °C at 760 mmHg

[ Melting Point ]:
-80 °C

[ Molecular Formula ]:
C7H11NO

[ Molecular Weight ]:
125.168

[ Flash Point ]:
48.9±0.0 °C

[ Exact Mass ]:
125.084061

[ PSA ]:
29.43000

[ LogP ]:
2.89

[ Vapour Pressure ]:
1.6±0.3 mmHg at 25°C

[ Index of Refraction ]:
1.523

[ Stability ]:
Stability Flammable. Incompatible with water, strong oxidizing agents, alcohols, strong bases, amines, acids, copper alloys, aluminium. May polymerize if exposed to moisture.

[ Water Solubility ]:
decomposes

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NQ8650000
CHEMICAL NAME :
Isocyanic acid, cyclohexyl ester
CAS REGISTRY NUMBER :
3173-53-3
LAST UPDATED :
199710
DATA ITEMS CITED :
7
MOLECULAR FORMULA :
C7-H11-N-O
MOLECULAR WEIGHT :
125.19

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
13 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
18 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :
Mutation in microorganisms
TEST SYSTEM :
Bacteria - Salmonella typhimurium
DOSE/DURATION :
150 ug/plate
REFERENCE :
ABCHA6 Agricultural and Biological Chemistry. (Maruzen Co. Ltd., POB 5050, Tokyo International, Tokyo 100-31, Japan) V.25- 1961- Volume(issue)/page/year: 44,3017,1980 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - T0838 No. of Facilities: 48 (estimated) No. of Industries: 3 No. of Occupations: 3 No. of Employees: 457 (estimated)

Safety Information

[ Symbol ]:

GHS02, GHS06, GHS08

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H226-H302 + H312-H315-H317-H319-H330-H334-H335

[ Precautionary Statements ]:
P260-P280-P284-P305 + P351 + P338-P310

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

[ Hazard Codes ]:
T+:Verytoxic;N:Dangerous for the environment;

[ Risk Phrases ]:
R10;R21/22;R26;R34;R42;R50

[ Safety Phrases ]:
S26-S28-S36/37-S45-S57-S36/37/39-S29-S28A-S23-S16

[ RIDADR ]:
UN 2488 6.1/PG 1

[ WGK Germany ]:
2

[ RTECS ]:
NQ8650000

[ Packaging Group ]:
I

[ Hazard Class ]:
6.1

[ HS Code ]:
29291090

Synthetic Route

Precursor & DownStream

Precursor

  • phosgene
  • Cyclohexylamine
  • N-CYCLOHEXYL-OXALAMIC ACID
  • Carbon dioxide
  • Tridecane
  • Cyclohexylcarbamic acid-cyclohexanamine (1:1)
  • Isocyanocyclohexane
  • 2-aminocyclohexane-1-carbonyl chloride
  • Triphosgene

DownStream

  • Dicyclohexylcarbodiimide
  • Cyclohexanone
  • Acetamide,N-cyclohexyl-
  • tert-Butyl carbamate
  • 1-Chloro-3-phenylacetone
  • 2-phenylbut-3-yn-2-yl N-cyclohexylcarbamate
  • N-Cyclohexylcarbamic acid 1-phenyl-1-(3,4-xylyl)-2-propynyl ester
  • Phenylisocyanate
  • 1,3-Dicyclohexylurea

Customs

[ HS Code ]: 2929109000

[ Summary ]:
2929109000. other isocyanates. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Articles

Thermal degradation of amorphous glibenclamide.

Eur. J. Pharm. Biopharm. 80(1) , 203-8, (2012)

A glibenclamide polymorph published by Panagopoulou-Kaplani and Malamataris (2000) [1], obtained by sublimation of amorphous glibenclamide, was analysed. A new interpretation of the data is presented ...

Effect of nitrosoureas on calmodulin activity in vitro and in mouse intestine in vivo.

Cancer Chemother. Pharmacol. 14(2) , 146-9, (1985)

The effects of BCNU, CCNU, methyl-CCNU, streptozotocin, and chlorozotocin on calmodulin activity were studied in vitro and in vivo. Preincubation of BCNU, CCNU, and methyl-CCNU with calmodulin produce...

Synthesis of HMDI-based segmented polyurethanes and their use in the manufacture of elastomeric composites for cardiovascular applications.

J. Biomater. Sci. Polym. Ed. 18(5) , 561-78, (2007)

For short-term cardiovascular application, segmented polyurethanes (SPUs) based on 4,4-methylenebis(cyclohexyl isocyanate) (HMDI), polytetramethylenglycol (PTMG) and 1,4-butanediol (BD) were synthesiz...


More Articles


Related Compounds

  • Methylene-bis(4-cyclohexylisocyanate)
  • Methylene bis-(4-cyclohexylisocyanate)
  • Adipic acid,dipropylene glycol,methylenebis(4-cyclohexylisocyanate) polymer
  • Diethylene glycol,adipic acid,4,4'-methylenebis(cyclohexylisocyanate)polymer
  • 1-(4-Nitrophenyl)-6,7-dihydro-1H-indazol-4(5H)-one
  • 1-(4-Fluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-amine
  • 3-Fluoro-2-(4-fluorophenyl)phenol
  • Carbamic acid, N-[2-[(6-chloro-2-benzoxazolyl)amino]ethyl]-, 1,1-dimethylethyl ester
  • 2-{2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}-1-(piperidin-1-yl)ethanone
  • 2-{2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
  • 2-{2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
  • 2-(4-Methoxy-3,5-dimethylphenyl)azepane
  • t-butyl N-(oxomethylene)-L-valinate
  • 1-(4-Butylphenyl)-1H-1,2,3-triazole-4-carboxylic acid
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