Basic information
- CAS
23773-30-0- Standard SMILES
CC#Cc1ccc(Br)cc1- InChIKey
ZXEYXWFEAUAXQG-UHFFFAOYSA-N- Molecular formula
- C9H7Br
- Average molar mass
- 195.06 g/mol
- Monoisotopic mass
- 193.97311
Names & identifiers
- Preferred name
- 1-Bromo-4-(1-propynyl)benzene
- IUPAC
- 1-bromo-4-prop-1-ynylbenzene
- English name
- 1-Bromo-4-(1-propynyl)benzene
- Molecular formula
- C9H7Br
- Molecular weight
- 195.06
Names & synonyms
23773-30-01-Bromo-4-(1-propynyl)benzene1-bromo-4-prop-1-ynylbenzeneBenzene, 1-bromo-4-(1-propynyl)-1-BROMO-4-(PROP-1-YN-1-YL)BENZENE1-bromo-4-(1-propyn-1-yl)BenzeneMFCD27947854SCHEMBL1666787SCHEMBL204889291-bromo-4-prop-1-ynyl-benzeneDTXSID403417671-(1-propynyl)-4-bromo-benzene
Show more names
Benzene, 1-broMo-4-(1-propyn-1-yl)-
1-Bromo-4-(1-propynyl)benzene #DA-07807SY505902
Database identifiers
- CAS
23773-30-0- PubChem CID
- 575587
- DTXSID
DTXSID40341767- EC Number
- 113-673-1
- Nikkaji
- J146.408F
Properties
Computed structural properties
- XLogP
- 3.4
- 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
Physicochemical properties
- Boiling point
- 233.9 · 233.9±23.0 °C(Predicted)
- Density
- 1.43 · 1.43±0.1 g/cm3(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
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, P317, P319, P321, P330, 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 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers10 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
杭州辅润医药科技有限公司15658004993 · [email protected]
杭州六可生物科技有限公司+86-0571-86912261 +86-15658003402 · [email protected]
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
上海兰科化学有限公司021-61916491 15921747686 · [email protected]
上海普黎康化工科技有限公司021-54321516 17717324060 · [email protected]
Guangzhou CATO Research Chemicals Inc.+86-020-81960175-617 18520203721 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
南京毕科生物科技有限公司025-58906079 17352406906 · [email protected]
Nanjing Bicbiotechnology Co., Ltd+86-2552131256 +86-18251840740 · [email protected]
Related reactions
4 records
Compound notes
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