3,5-Dichloro-alpha-methylstyrene

HCID 110604CAS 68575-36-0

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Basic information

Standard SMILES: C=C(C)c1cc(Cl)cc(Cl)c1
InChIKey: CSXMJJOTTRDXHY-UHFFFAOYSA-N
Molecular formula: C9H8Cl2
Average molar mass: 187.06 g/mol
Monoisotopic mass: 186.00030562

Names & identifiers

Preferred name: 3,5-Dichloro-alpha-methylstyrene
IUPAC: 1,3-dichloro-5-prop-1-en-2-ylbenzene
English name: 3,5-dichloro-alpha-methylstyrene
Molecular formula: C9H8Cl2
Molecular weight: 187.07

Names & synonyms

68575-36-03,5-Dichloro-alpha-methylstyreneEINECS 271-506-91,3-Dichloro-5-(1-methylethenyl)benzeneBenzene, 1,3-dichloro-5-(1-methylethenyl)-3,5-Dichloro-.alpha.-methylstyreneDTXSID3071698RefChem:486741DTXCID3046168271-506-92-(3,5-Dichlorophenyl)propene1,3-dichloro-5-(prop-1-en-2-yl)benzene

Show more names

3,5-dichloro-α-methylstyrene

1,3-dichloro-5-prop-1-en-2-ylbenzeneMFCD00035987NA8RH4UX8G1,3-dichloro-5-prop-1-en-2-yl-benzeneUNII-NA8RH4UX8GSCHEMBL77756201,3-Dichloro-5-isopropenylbenzeneTCA57536

Database identifiers

CAS: 68575-36-0
PubChem CID: 110604
DTXSID: DTXSID3071698
UNII: NA8RH4UX8G
EC Number: 271-506-9
Nikkaji: J309.225I

Properties

Computed structural properties

XLogP: 4.6
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 144

Physicochemical properties

form: liquid
color: Clear, colourless
FDA UNII: 8 RH4UX8G · NA8RH4UX8G
EPA Substance Registry System: 3 · 3,5-Dichloro-.alpha.-methylstyrene (68575-36-0)
Symbol(GHS): 5 · GHS05,GHS06,GHS02
Signal word: Danger
Hazard statements: 300 · H300-H314-H225
Precautionary statements: 501 · P501-P270-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P303+P361+P353-P301+P330+P331-P363-P301+P310+P330-P304+P340+P310-P305+P351+P338+P310-P403+P235-P405
TSCA: TSCA listed
HazardClass: IRRITANT
HS Code: 2903290000 · 2903290000

Safety & regulation

GHS classification

GHS Classification · 4 items

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)

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%)

Safety data

tsca: TSCA listed
hs_code: 2903290000
Signal word: Danger
Symbol(GHS): GHS05,GHS06,GHS02
hazard_class: IRRITANT
Hazard statements: H300-H314-H225
Precautionary statements: P501-P270-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P303+P361+P353-P301+P330+P331-P363-P301+P310+P330-P304+P340+P310-P305+P351+P338+P310-P403+P235-P405