Basic information
- CAS
556112-19-7- Standard SMILES
C#Cc1cccc(Cl)c1Cl- InChIKey
ZJBQVHITAJZERN-UHFFFAOYSA-N- Molecular formula
- C8H4Cl2
- Average molar mass
- 171.02 g/mol
- Monoisotopic mass
- 169.96900549
Names & identifiers
- Preferred name
- 1,2-Dichloro-3-ethynylbenzene
- IUPAC
- 1,2-dichloro-3-ethynylbenzene
- English name
- Benzene, 1,2-dichloro-3-ethynyl-
- Molecular formula
- C8H4Cl2
- Molecular weight
- 171.02
Names & synonyms
1,2-Dichloro-3-ethynylbenzene556112-19-71,2-dichloro-3-ethynyl-benzeneBenzene, 1,2-dichloro-3-ethynyl-95385-82-32,3-dichlorophenylacetyleneMFCD16616293SCHEMBL3595081SCHEMBL16956256DTXSID20241817ZJBQVHITAJZERN-UHFFFAOYSA-NGXA11219
Show more names
AKOS012333843SY203977DS-020814CS-02399921,2-Dichloro-3-ethynylbenzene - [D94222]EN300-222335G73591F656889
Database identifiers
- CAS
556112-19-7、95385-82-3- PubChem CID
- 178779
- DTXSID
DTXSID20241817- EC Number
- 182-231-8
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
- 156
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, 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
Suppliers8 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
上海药森生物科技有限公司18916117619 18916117619 · [email protected]
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
上海金源瑞医药科技有限公司021-18217523 18217523428 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
北京新研汇医药研发有限公司13969155946 · [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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