Basic information
- CAS
33491-05-3- Standard SMILES
Cc1ccc(C#CBr)cc1- InChIKey
XINBRILTVYGCQV-UHFFFAOYSA-N- Molecular formula
- C9H7Br
- Average molar mass
- 195.06 g/mol
- Monoisotopic mass
- 193.97311
Names & identifiers
- Preferred name
- Benzene, 1-(bromoethynyl)-4-methyl-
- IUPAC
- 1-(2-bromoethynyl)-4-methylbenzene
- English name
- 1-Bromo-2-(4-methylphenyl)acetylene
- Molecular formula
- C9H7Br
- Molecular weight
- 195.06
Names & synonyms
33491-05-3benzene, 1-(bromoethynyl)-4-methyl-1-(bromoethynyl)-4-methylbenzeneDTXSID80348730RefChem:323601DTXCID10299802InChI=1/C9H7Br/c1-8-2-4-9(5-3-8)6-7-10/h2-5H,1H1-(2-bromoethynyl)-4-methylbenzene1-Bromo-2-(4-methylphenyl)acetyleneSCHEMBL22779082MFCD30726075Benzene, 1-(2-bromoethynyl)-4-methyl-
Database identifiers
- CAS
33491-05-3- PubChem CID
- 640388
- DTXSID
DTXSID80348730- Nikkaji
- J1.079.736E
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 152
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- HS Code
- 29039990 · 29039990
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 29039990
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers1 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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