Cycloheptatriene

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Names

[ CAS No. ]:
544-25-2

[ Name ]:
Cycloheptatriene

[Synonym ]:
EINECS 208-866-3
Cycloheptatriene
MFCD00004146

Chemical & Physical Properties

[ Density]:
0.888 g/mL at 25 °C(lit.)

[ Boiling Point ]:
116-117 °C(lit.)

[ Melting Point ]:
-79.5°C

[ Molecular Formula ]:
C7H8

[ Molecular Weight ]:
92.13840

[ Flash Point ]:
80 °F

[ Exact Mass ]:
92.06260

[ LogP ]:
2.05870

[ Index of Refraction ]:
n20/D 1.519(lit.)

[ Water Solubility ]:
insoluble

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GU3675000
CHEMICAL NAME :
1,3,5-Cycloheptatriene
CAS REGISTRY NUMBER :
544-25-2
LAST UPDATED :
199710
DATA ITEMS CITED :
7
MOLECULAR FORMULA :
C7-H8
MOLECULAR WEIGHT :
92.15
WISWESSER LINE NOTATION :
L7 AHJ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
57 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Vascular - regional or general arteriolar constriction Blood - hemorrhage
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
442 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 :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
171 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Vascular - regional or general arteriolar constriction Blood - hemorrhage

MUTATION DATA

TYPE OF TEST :
Cytogenetic analysis
TEST SYSTEM :
Rodent - rat Liver
DOSE/DURATION :
100 mg/L
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 153,57,1985 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X4420 No. of Facilities: 7 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 28 (estimated)

Safety Information

[ Hazard Codes ]:
F:Flammable;T:Toxic;

[ Risk Phrases ]:
R11;R25;R36/37/38;R65

[ Safety Phrases ]:
S16-S26-S36/37/39-S45-S62

[ RIDADR ]:
UN 2603 3/PG 2

[ WGK Germany ]:
3

[ RTECS ]:
GU3675000

[ Packaging Group ]:
II

[ Hazard Class ]:
3

[ HS Code ]:
29021990

Precursor & DownStream

Precursor

DownStream

  • 2-(4-chlorophenyl)-1,3-dithiane
  • Tropylium tetrafluoroborate
  • Scopine
  • 1,3-Dithiane, 2-phenyl-
  • Tropolone
  • 1,3-Dithiane
  • 1,2,3,4-tetrachloro-9H-benzo[7]annulene
  • HEXAPHENYLBENZENE
  • 7,8-diphenylbicyclo[4.2.1]nona-2,4,7-triene
  • 3,4,7,8-tetraphenyltricyclo(4.2.2.12,5)undeca-3,7,9-triene

Customs

[ HS Code ]: 2902199090

[ Summary ]:
2902199090 other cyclanes, cyclenes and cyclotherpenes。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:2.0%。General tariff:30.0%


Related Compounds

  • dicycloheptatriene
  • ethylcycloheptatriene
  • Cycloheptatrienethione
  • methylcycloheptatriene
  • 1,2,3-Cycloheptatriene
  • phenylcycloheptatriene
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 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
  • rac-tert-butyl N-[(1R,2S)-2-chlorocyclopentyl]carbamate
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4-(2-amino-1-methyl-1H-imidazol-5-yl)-2-methylphenol
  • 4-(3-Fluoro-2-methylphenoxy)piperidine
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde