Completing data — usually done within a minute
Basic information
- CAS
42427-51-0- Standard SMILES
C=C(CC)c1ccc(Br)cc1- InChIKey
RGATWDYVVSRVCF-UHFFFAOYSA-N- Molecular formula
- C10H11Br
- Average molar mass
- 211.1 g/mol
- Monoisotopic mass
- 210.00441245
Names & identifiers
- Preferred name
- 1-Bromo-4-(but-1-en-2-yl)benzene
- IUPAC
- 1-bromo-4-but-1-en-2-ylbenzene
Names & synonyms
1-bromo-4-(but-1-en-2-yl)benzene42427-51-0DTXSID30623100RefChem:228572DTXCID905738541-bromo-4-but-1-en-2-ylbenzeneBenzene, 1-bromo-4-(1-methylenepropyl)-1-Bromo-4-(1-methylenepropyl)benzeneSCHEMBL5178198RGATWDYVVSRVCF-UHFFFAOYSA-NSBA42751AKOS013993824
Show more names
1-bromo-4-(1-methylenepropyl)-benzeneCS-0222907EN300-113105G53373
Database identifiers
- CAS
42427-51-0- PubChem CID
- 22166226
- DTXSID
DTXSID30623100- EC Number
- 155-214-8
- Nikkaji
- J1.438.143K
Properties
Computed structural propertiesFilling in
- XLogP
- 4.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 132
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers2 total
常州合晶化工有限公司85528066 13775048983 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
2 records
Compound notes
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