Azepane

Modify Date: 2024-01-02 17:38:45

Azepane Structure
Azepane structure
Common Name Azepane
CAS Number 111-49-9 Molecular Weight 99.174
Density 0.8±0.1 g/cm3 Boiling Point 142.7±8.0 °C at 760 mmHg
Molecular Formula C6H13N Melting Point -37°C
MSDS N/A Flash Point 18.3±0.0 °C

 Names

Name azepane
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.8±0.1 g/cm3
Boiling Point 142.7±8.0 °C at 760 mmHg
Melting Point -37°C
Molecular Formula C6H13N
Molecular Weight 99.174
Flash Point 18.3±0.0 °C
Exact Mass 99.104797
PSA 12.03000
LogP 1.50
Vapour Pressure 5.5±0.3 mmHg at 25°C
Index of Refraction 1.429
Water Solubility soluble

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CM3150000
CHEMICAL NAME :
1H-Azepine, hexahydro-
CAS REGISTRY NUMBER :
111-49-9
BEILSTEIN REFERENCE NO. :
0001084
LAST UPDATED :
199806
DATA ITEMS CITED :
9
MOLECULAR FORMULA :
C6-H13-N
MOLECULAR WEIGHT :
99.20
WISWESSER LINE NOTATION :
T7MTJ

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 :
20700 ug/kg
TOXIC EFFECTS :
Behavioral - food intake (animal) Lungs, Thorax, or Respiration - pulmonary emboli Liver - other changes
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0534842
TYPE OF TEST :
LCLo - Lowest published lethal concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
33300 mg/m3/30M
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - pulmonary emboli
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0534842
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
10800 mg/m3/2H
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982 Volume(issue)/page/year: -,74,1982
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
1260 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0539976
TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
>50 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
TPKVAL Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. (Izdatel'stvo Meditsina, Moscow, USSR) No.1- 1961- Volume(issue)/page/year: 10,25,1968 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 0.5 mg/m3;Skin JAN 1993

 Safety Information

Hazard Codes F:Flammable;T+:Verytoxic;
Risk Phrases R11;R20;R28;R34
Safety Phrases S26-S36/37/39-S45-S28A-S16-S1
RIDADR UN 2493 3/PG 2
WGK Germany 3
RTECS CM3150000
Packaging Group II
Hazard Class 3
HS Code 2933990090

 Synthetic Route

 Customs

HS Code 2933990090
Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

Hexahydroazepine
Hexamethyleneimine
Perhydroazepine
Homopiperidine
1H-Azepine, hexahydro-
tetrahydroazepine
HEXAMETHYLENIMINE
Azacycloheptane
EINECS 203-875-9
Hexahydro-1H-azepine
Azepane
1H-Azepine,hexahydro
MFCD00006934
hexamethylene amine
3,4,5,6-Tetrahydroazepine
perhydro-1H-azepine
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