CAS 56893-25-5 Methyl 4-(2-bromoacetyl)benzoate (HCID 13612771)

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Basic information

CAS: 56893-25-5
Standard SMILES: COC(=O)c1ccc(C(=O)CBr)cc1
InChIKey: CHEPDPSMYKFNAN-UHFFFAOYSA-N
Molecular formula: C10H9BrO3
Average molar mass: 257.08 g/mol
Monoisotopic mass: 255.97350625

Names & identifiers

Preferred name: Methyl 4-(2-bromoacetyl)benzoate
IUPAC: methyl 4-(2-bromoacetyl)benzoate
English name: 4-(2-BROMO-ACETYL)-BENZOIC ACID METHYL ESTER
Molecular formula: C10H9BrO3
Molecular weight: 257.08

Names & synonyms

Methyl 4-(2-bromoacetyl)benzoateRefChem:815872852-955-556893-25-54-(2-BROMO-ACETYL)-BENZOIC ACID METHYL ESTER4-(2-Bromoacetyl)benzoic Acid Methyl EsterMethyl 4-(Bromoacetyl)benzoateMFCD08062347Methyl4-(2-bromoacetyl)benzoateBenzoic acid, 4-(bromoacetyl)-, methyl esterMethyl 4-bromoacetylbenzoateSCHEMBL1146420

Show more names

Fs005025Methyl p-(BroMoacetyl)benzoateα-BroMo-4-(carboMethoxy)acetophenone4-(2-Bromoacetyl)benzoic acid methyl esteBenzoic acid, 4-(2-broMoacetyl)-, Methyl esterω-BroMoacetophenone-4-carboxylic Αcid Methyl Ester4-(Methoxycarbonyl)phenacyl bromide, 2-Bromo-4'-(methoxycarbonyl)acetophenone

DTXSID705450194-bromoacetyl-benzoic acid methyl esterAS-10604CHEPDPSMYKFT-0663627CHEPDPSMYKFNAN-UHFFFAOYSA-NALBB-031237AKOS005264747

Database identifiers

CAS: 56893-25-5
PubChem CID: 13612771
DTXSID: DTXSID70545019
EC Number: 852-955-5
Nikkaji: J2.450.597I

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 43.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 14
Formal charge: 0
Complexity: 219

Physicochemical properties

Boiling point: 342.8 · 342.8±22.0 °C(Predicted)
Density: 1.494 · 1.494±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
form: solid
color: Beige
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319-H335
Precautionary statements: 280 · P280
HS Code: 2917399590 · 2917399590

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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.