CAS 26167-45-3 1-(1-Benzothiophen-3-yl)-2-bromoethan-1-one (HCID 2776341)

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Basic information

CAS: 26167-45-3
Standard SMILES: O=C(CBr)c1csc2ccccc12
InChIKey: CKHWNGWAHFLCTJ-UHFFFAOYSA-N
Molecular formula: C10H7BrOS
Average molar mass: 255.13 g/mol
Monoisotopic mass: 253.9401

Names & identifiers

Preferred name: 1-(1-Benzothiophen-3-yl)-2-bromoethan-1-one
IUPAC: 1-(1-benzothiophen-3-yl)-2-bromoethanone
English name: 1-Benzo[b]thiophen-3-yl-2-bromoethan-1-one
Molecular formula: C10H7BrOS
Molecular weight: 255.13

Names & synonyms

26167-45-31-(1-Benzothiophen-3-Yl)-2-Bromoethan-1-OneDTXSID50380001RefChem:222388DTXCID40331027970-627-01-(Benzo[b]thiophen-3-yl)-2-bromoethanone1-Benzo[B]thiophen-3-yl-2-bromoethan-1-one1-(1-benzothiophen-3-yl)-2-bromoethanoneC10H7BrOS3-(Bromoacetyl)benzo[b]thiopheneEthanone, 1-benzo[b]thien-3-yl-2-bromo-

Show more names

3-(Bromoacetyl)benzothiophene3-(Bromoacetyl)benzo[b]thiophene97%3-(Bromoacetyl)benzo[b]thiophene 97%1-Benzothiophen-3-yl-2-bromoethan-1-one

1-(1-Benzothiophen-3-yl)-2-bromo-1-ethanoneMFCD00176410SCHEMBL2987630CKHWNGWAHFLCTJ-UHFFFAOYSA-N3-(2-bromoacetyl)benzo[b]thiophenSBB066428AKOS005070122AC-4620

Database identifiers

CAS: 26167-45-3
PubChem CID: 2776341
DTXSID: DTXSID50380001
EC Number: 970-627-0
Nikkaji: J1.526.868I

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 45.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 207

Physicochemical properties

Melting point: 138 °C · 138 °C
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
form: crystalline solid
color: White
CAS DataBase Reference: 26167 · 26167-45-3
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314-H318
Precautionary statements: 280 · P280-P305+P351+P338-P310
Hazard Codes: C
Risk Statements: 36 · 36/37/38-34
Safety Statements: 26 · 26-36/37/39-45-26/37/39
RIDADR: 3261 · 3261
Hazard Note: Corrosive
HazardClass: IRRITANT
HS Code: 29349990 · 29349990

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, 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.