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3-CHLOROCOUMARIN

3-CHLOROCOUMARIN structure

CAS No:
92-45-5
Formula:
C9H5ClO2
Chemical Name:
3-CHLOROCOUMARIN
Synonyms:
3-Chlorocoumarin;3-chlorochromen-2-one;Coumarin, 3-chloro-;3-Chloro-2H-chromen-2-one;2H-1-Benzopyran-2-one, 3-chloro-;NSC54855;chlorocoumarin;3-Chloro-2H-1-benzopyran-2-one;NSC 54855;ACMC-1CIAT
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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3-CHLOROCOUMARIN Basic Attributes

Molecular Weight：

180.59

Exact Mass：

179.997803

NSC Number：

54855

DSSTox ID：

DTXSID10238817

HScode：

2932209090

Characteristics

PSA：

26.3

XLogP3：

2.03

Density：

1.4±0.1 g/cm3

Melting Point：

121-125 °C(lit.)

Boiling Point：

325.4±30.0 °C at 760 mmHg

Flash Point：

175.0±20.0 °C

Refractive Index：

1.618

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

22-36

safety instructions：

26-36

Marks：

Precautionary statement(s)：

P305 + P351 + P338

Hazard Statements：

H302-H319

GHS Classification：

|Warning|H302 (90.7%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, and P501|Aggregated GHS information provided by 43 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:180.59
XLogP3:2.7
Hydrogen Bond Acceptor Count:2
Exact Mass:179.9978071
Monoisotopic Mass:179.9978071
Topological Polar Surface Area:26.3
Heavy Atom Count:12
Complexity:235
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes