CAS 544-25-2|Cycloheptatriene

Introduction:Basic information about CAS 544-25-2|Cycloheptatriene, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common NameCycloheptatriene
CAS Number544-25-2Molecular Weight92.13840
Density0.888 g/mL at 25 °C(lit.)Boiling Point116-117 °C(lit.)
Molecular FormulaC7H8Melting Point-79.5°C
MSDS/Flash Point80 °F

Names

Namecyclohepta-1,3,5-triene
SynonymMore Synonyms

Chemical & Physical Properties

Density0.888 g/mL at 25 °C(lit.)
Boiling Point116-117 °C(lit.)
Melting Point-79.5°C
Molecular FormulaC7H8
Molecular Weight92.13840
Flash Point80 °F
Exact Mass92.06260
LogP2.05870
Index of Refractionn20/D 1.519(lit.)
InChIKeyCHVJITGCYZJHLR-UHFFFAOYSA-N
SMILESC1=CC=CCC=C1
Water Solubilityinsoluble

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 CodesF:Flammable;T:Toxic;
Risk PhrasesR11;R25;R36/37/38;R65
Safety PhrasesS16-S26-S36/37/39-S45-S62
RIDADRUN 2603 3/PG 2
WGK Germany3
RTECSGU3675000
Packaging GroupII
Hazard Class3
HS Code29021990

Customs

HS Code2902199090
Summary2902199090 other cyclanes, cyclenes and cyclotherpenes。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:2.0%。General tariff:30.0%

Synonyms

EINECS 208-866-3
Cycloheptatriene
MFCD00004146
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