4-Chloro-alpha-methylstyrene

HCID 74381CAS 1712-70-5

Substructure search Find similar structures

Basic information

Standard SMILES: C=C(C)c1ccc(Cl)cc1
InChIKey: WQDGTJOEMPEHHL-UHFFFAOYSA-N
Molecular formula: C9H9Cl
Average molar mass: 152.62 g/mol
Monoisotopic mass: 152.03927797

Names & identifiers

Preferred name: 4-Chloro-alpha-methylstyrene
IUPAC: 1-chloro-4-prop-1-en-2-ylbenzene
English name: 4-Chloro-alpha-methylstyrene
Molecular formula: C9H9Cl
Molecular weight: 152.62

Names & synonyms

4-Chloro-alpha-methylstyrene1712-70-5Benzene, 1-chloro-4-(1-methylethenyl)-EINECS 216-984-1AI3-19142DTXSID40169024RefChem:521736DTXCID5091515216-984-11-Chloro-4-(prop-1-en-2-yl)benzenep-Chloro-alpha-methylstyrene4-Chloro-|A-methylstyrene

Show more names

Chloromethylstyrenetech4-chloro-à-methylstyrene4-Chloro-α-methylstyrenep-Chloro-α-methylstyrene2-(4-CHLOROPHENYL)PROPENEp-Chloroisopropenylbenzenep-Isopropenyl-chlorobenzene

1-chloro-4-prop-1-en-2-ylbenzeneMFCD000006304-Chloro-.alpha.-methylstyrene4-Chloroisopropenylbenzene4-Isopropenylchlorobenzene1-chloro-4-isopropenyl-benzene4-chloro-a-methylstyrene4-chloro-alpha-methyl styrene

Database identifiers

CAS: 1712-70-5
PubChem CID: 74381
DTXSID: DTXSID40169024
EC Number: 216-984-1
Nikkaji: J37.673F

Properties

Computed structural properties

XLogP: 4.4
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 121

Physicochemical properties

Boiling point: 205 · 205-207 °C
Density: 1.065 g/mL · 1.065 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.555(lit.)
Flash point: 165 °F · 165 °F
storage temp.: 30 °C · Store below +30°C.
form: liquid
Specific Gravity: 1.065 · 1.065
Appearance: Colorless to light yellow Liquid
Water Solubility: Soluble in water.
BRN: 1855073 · 1855073
InChI: InChI=1S/C9H9Cl/c1-7(2)8-3-5-9(10)6-4-8/h3-6H,1H2,2H3
InChIKey: WQDGTJOEMPEHHL-UHFFFAOYSA-N
SMILES: C1(Cl)=CC=C(C(C)=C)C=C1
CAS DataBase Reference: 1712 · 1712-70-5(CAS DataBase Reference)
NIST Chemistry Reference: 4 · 4-ClC6H4C(CH3)=CH2(1712-70-5)
UNSPSC Code: 12352101 · 12352101
Symbol(GHS): 9 · GHS09,GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335-H227-H411
Precautionary statements: 210 e-P261-P280a-P305+P351+P338-P405-P501a-P210-P273-P280-P370+P378-P391-P403+P235-P501 · P210e-P261-P280a-P305+P351+P338-P405-P501a-P210-P273-P280-P370+P378-P391-P403+P235-P501
Safety Statements: 23 · 23-24/25
RIDADR: 3082 · 3082
WGK Germany: 3 · 3
HazardClass: 9 · 9
PackingGroup: III
HS Code: 29036990 · 29036990
Storage Class: 10 · 10 - Combustible liquids

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H227 (16.7%): Combustible liquid [Warning Flammable liquids]

P210, P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 4 (16.7%)

Safety data

wgk: 3
ridadr: 3082
hs_code: 29036990
Signal word: Warning
Symbol(GHS): GHS09,GHS07
safety_code: 23-24/25
hazard_class: 9
Storage Class: 10 - Combustible liquids
packing_group: III
Hazard statements: H315-H319-H335-H227-H411
Precautionary statements: P210e-P261-P280a-P305+P351+P338-P405-P501a-P210-P273-P280-P370+P378-P391-P403+P235-P501