1-Bromo-3-cyclopropylbenzene

HCID 3282672CAS 1798-85-2

Substructure search Find similar structures

Basic information

Standard SMILES: Brc1cccc(C2CC2)c1
InChIKey: BCBNVQYWODLZSI-UHFFFAOYSA-N
Molecular formula: C9H9Br
Average molar mass: 197.07 g/mol
Monoisotopic mass: 195.98876239

Names & identifiers

Preferred name: 1-Bromo-3-cyclopropylbenzene
IUPAC: 1-bromo-3-cyclopropylbenzene
English name: 1-Bromo-3-cyclopropylbenzene
Molecular formula: C9H9Br
Molecular weight: 197.07

Names & synonyms

1-bromo-3-cyclopropylbenzene1798-85-2DTXSID10391017RefChem:75106DTXCID90341878640-229-9Benzene, 1-bromo-3-cyclopropyl-MFCD01070823m-bromophenylcyclopropane1-bromo-3-cyclopropyl-benzene3-bromo-1-cyclopropylbenzene1-bromo-3-cyclopropyl benzene

Show more names

3-Cyclopropylbromobenzene(3-Bromophenyl)cyclopropane3-Cyclopropylbromobenzene 97%1-Bromo-3-cyclopropylbenzene97%1-Bromo-3-cyclopropylbenzene 97%

Bromo-3-cyclopropyl-benzeneSCHEMBL957833SCHEMBL4213809SCHEMBL6446557SCHEMBL16958384SCHEMBL27319350SCHEMBL27822764SCHEMBL29427010

Database identifiers

CAS: 1798-85-2
PubChem CID: 3282672
DTXSID: DTXSID10391017
EC Number: 640-229-9
Nikkaji: J3.124.043C

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 118

Physicochemical properties

storage temp.: Sealed in dry,Room Temperature
form: liquid
color: Clear, colourless
Sensitive: Light Sensitive
InChI: 1S/C9H9Br/c10-9-3-1-2-8(6-9)7-4-5-7/h1-3,6-7H,4-5H2
InChIKey: BCBNVQYWODLZSI-UHFFFAOYSA-N
SMILES: Brc1cc(ccc1)C2CC2
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Codes: Xi
HS Code: 2903998090 · 2903998090
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.