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3-Acetyl-6-bromocoumarin

3-Acetyl-6-bromocoumarin structure

CAS No:
2199-93-1
Formula:
C11H7BrO3
Chemical Name:
3-Acetyl-6-bromocoumarin
Synonyms:
2H-1-Benzopyran-2-one,3-acetyl-6-bromo-;Coumarin,3-acetyl-6-bromo-;3-Acetyl-6-bromo-2H-1-benzopyran-2-one;3-Acetyl-6-bromocoumarin;6-Bromo-3-acetylcoumarin;NSC 201515;3-Acetyl-6-bromo-2H-chromen-2-one;3-Acetyl-6-bromochromen-2-one
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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3-Acetyl-6-bromocoumarin Basic Attributes

Molecular Weight：

267.08

Exact Mass：

267.08

NSC Number：

201515

DSSTox ID：

DTXSID10308029

HScode：

2932209090

Characteristics

PSA：

43.4

XLogP3：

2.75810

Density：

1.70 g/cm³

Melting Point：

219 °C

Boiling Point：

441.3ºC at 760mmHg

Flash Point：

220.7ºC

Refractive Index：

1.614

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

22-36

safety instructions：

Marks：

Xn,Xi

Hazard note：

Irritant

Precautionary statement(s)：

P305 + P351 + P338

Hazard Statements：

H302-H319

GHS Classification：

|Warning|H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

3-acetyl-6-bromo-2H-chromen-2-one

Computed Properties

Molecular Weight:267.07
XLogP3:2.5
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:265.95786
Monoisotopic Mass:265.95786
Topological Polar Surface Area:43.4
Heavy Atom Count:15
Complexity:335
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes