CAS 7476-66-6 (+-)-Methyl alpha-chlorophenylacetate (HCID 139032)

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Basic information

CAS: 7476-66-6
Standard SMILES: COC(=O)C(Cl)c1ccccc1
InChIKey: XOIOYHPJZJLTGK-UHFFFAOYSA-N
Molecular formula: C9H9ClO2
Average molar mass: 184.62 g/mol
Monoisotopic mass: 184.0291072

Names & identifiers

Preferred name: (+-)-Methyl alpha-chlorophenylacetate
IUPAC: methyl 2-chloro-2-phenylacetate
English name: METHYL A-CHLOROPHENYLACETATE
Molecular formula: C9H9ClO2
Molecular weight: 184.62

Names & synonyms

RefChem:390829(+-)-Methyl alpha-chlorophenylacetate667-835-6methyl 2-chloro-2-phenylacetate7476-66-6Methyl alpha-chlorophenylacetateMethyl chloro(phenyl)acetateMFCD00040996Methyl .alpha.-chlorophenylacetateSCHEMBL1526022methyl 2-chloro-2-phenyl-acetateNSC401796

Show more names

TIMTEC-BB SBB007734METHYL A-CHLOROPHENYLACETATEChlorophenylacetic acid methyl esterMethyl (R)-2-chloro-2-phenylethanoate(+/-)-METHYL ALPHA-CHLOROPHENYLACETATEα-Chlorobenzeneacetic acid methyl ester

AKOS001084434AKOS016053414NSC 401796NSC-401796EN300-11543D81981Z570462372-Chloro-1-methyl-2-phenylacetate

Database identifiers

CAS: 7476-66-6
PubChem CID: 139032
EC Number: 667-835-6
Nikkaji: J410.623G

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 153

Physicochemical properties

Boiling point: 263.86 °C · 263.86°C (rough estimate)
Density: 1.1989 · 1.1989 (rough estimate)
refractive index: 1.523 · 1.5230 (estimate)
storage temp.: 2 · Inert atmosphere,2-8°C
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 264 · P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P321-P363-P405-P501
HS Code: 2916399090 · 2916399090

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P271, P280, P302+P352, P304+P340, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；STOT SE 3 (100%)

Safety data

hs_code: 2916399090
Signal word: Danger
Symbol(GHS): GHS05
Hazard statements: H314
Precautionary statements: P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P321-P363-P405-P501