(3-Bromopropyl)cyclohexane

HCID 96426

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Basic information

CAS: 34094-21-8
Standard SMILES: BrCCCC1CCCCC1
InChIKey: SAJKBMWWUCUTBI-UHFFFAOYSA-N
Molecular formula: C9H17Br
Average molar mass: 205.13 g/mol
Monoisotopic mass: 204.05136264

Names & identifiers

Preferred name: (3-Bromopropyl)cyclohexane
IUPAC: 3-bromopropylcyclohexane
English name: (3-bromopropyl)cyclohexane
Molecular formula: C9H17Br
Molecular weight: 205.14

Names & synonyms

(3-Bromopropyl)cyclohexane34094-21-83-cyclohexylpropyl bromide1-bromo-3-cyclohexylpropaneEINECS 251-824-4VOX04I4D2LNSC-73714CYCLOHEXANE, (3-BROMOPROPYL)-DTXSID00187688NSC 737143-CYCLOHEXYLPROPAN-1-YL BROMIDERefChem:69100

Show more names

(3-Bromopropyl)cyclohexane - [B89409]

DTXCID60110179251-824-43-bromopropylcyclohexaneMFCD00019400NSC73714UNII-VOX04I4D2LSCHEMBL800823-(cyclohexyl)propyl bromide

Database identifiers

CAS: 34094-21-8
PubChem CID: 96426
DTXSID: DTXSID00187688
UNII: VOX04I4D2L
EC Number: 251-824-4
Nikkaji: J287.858E

Properties

Computed structural properties

XLogP: 4.4
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 3
Heavy atoms: 10
Formal charge: 0
Complexity: 74.8

Physicochemical properties

storage temp.: 2 · Storage temp. 2-8°C
Appearance: Colorless to light yellow Liquid
FDA UNII: 4 I4D2L · VOX04I4D2L
Symbol(GHS): 9 · GHS09,GHS06
Signal word: Danger
Hazard statements: 301 · H301-H410
Precautionary statements: 273 · P273-P391-P501-P264-P270-P301+P310-P321-P330-P405-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P270, P273, P301+P316, P321, P330, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS09,GHS06
Hazard statements: H301-H410
Precautionary statements: P273-P391-P501-P264-P270-P301+P310-P321-P330-P405-P501