CAS 70090-69-6 1-Chloro-4-(2-propyn-1-yl)benzene (HCID 13660255)

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Basic information

CAS: 70090-69-6
Standard SMILES: C#CCc1ccc(Cl)cc1
InChIKey: GNZUKUHRXXDNFS-UHFFFAOYSA-N
Molecular formula: C9H7Cl
Average molar mass: 150.6 g/mol
Monoisotopic mass: 150.0236279

Names & identifiers

Preferred name: 1-Chloro-4-(2-propyn-1-yl)benzene
IUPAC: 1-chloro-4-prop-2-ynylbenzene
English name: 1-Chloro-4-prop-2-ynyl-benzene
Molecular formula: C9H7Cl
Molecular weight: 150.6

Names & synonyms

1-CHLORO-4-(PROP-2-YN-1-YL)BENZENE70090-69-61-Chloro-4-(2-propyn-1-yl)benzeneDTXSID301299205RefChem:431372DTXCID701729355851-970-41-chloro-4-prop-2-ynyl-benzene1-chloro-4-prop-2-ynylbenzene1-Chloro-4-(2-propynyl)benzene3-(4-chlorophenyl)propyneSCHEMBL1921131

Show more names

1-chloro-4-prop-2-yn-1-ylbenzeneBenzene, 1-chloro-4-(2-propyn-1-yl)-

SCHEMBL3227490SCHEMBL18245392GNZUKUHRXXDNFS-UHFFFAOYSA-NVCA09069MFCD10698140AKOS006303186AB61380SY371425

Database identifiers

CAS: 70090-69-6
PubChem CID: 13660255
DTXSID: DTXSID301299205
EC Number: 851-970-4
Nikkaji: J2.905.481I

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: 134

Physicochemical properties

Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H227-H319-H315-H302
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P210-P280-P370+P378-P403+P235-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H227 (100%): Combustible liquid [Warning Flammable liquids]

P210, 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, P370+P378, P403, 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 CategoriesFlam. Liq. 4 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H335-H227-H319-H315-H302
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P210-P280-P370+P378-P403+P235-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501