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3,4-DICHLOROISOCOUMARIN

3,4-DICHLOROISOCOUMARIN structure

CAS No:
51050-59-0
Formula:
C9H4Cl2O2
Chemical Name:
3,4-DICHLOROISOCOUMARIN
Synonyms:
3,4-DICHLORO-2-BENZOPYRAN-1-ONE;3,4-DICHLOROISOCOUMARIN;3,4-dci;3,4-DCI,3,4-Dichloro-2-benzopyran-1-one;3,4-dichloroisochromen-1-one;3,4-dichloro-1H-isochroMen-1-one
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

3,4-dichloroisocoumarin is a member of the class of isocoumarins that is isocoumarin substituted by chloro groups at positions 3 and 4. It is a serine protease inhibitor. It has a role as a geroprotector and a serine protease inhibitor. It is a member of isocoumarins and an organochlorine compound.

3,4-DICHLOROISOCOUMARIN Basic Attributes

Molecular Weight：

215.03

Exact Mass：

213.95900

UNII：

SD08W1HH6E

NSC Number：

727363

DSSTox ID：

DTXSID70199056

Characteristics

PSA：

26.3

XLogP3：

3.1

Density：

1.53 g/cm3

Boiling Point：

304.7°C at 760 mmHg

Flash Point：

136.6ºC

Refractive Index：

1.627

Water Solubility：

soluble in DMF or DMSO at a concentration of 10mM

Storage Conditions：

2-8°C

Safety Information

Packing level：

Ⅲ

Hazard category：

6.1

Transport codes：

UN 2811 6.1/PG 3

wgk germany：

hazard class code：

25-36/37/38

safety instructions：

26-36

Marks：

Precautionary statement(s)：

P261-P301 + P310-P305 + P351 + P338

Hazard Statements：

H301-H315-H319-H335

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH：

Exogenous or endogenous compounds which inhibit SERINE ENDOPEPTIDASES. (See all compounds classified as Serine Proteinase Inhibitors.)

MeSH Entry Terms：

3,4-DCL

Computed Properties

Molecular Weight:215.03
XLogP3:3.1
Hydrogen Bond Acceptor Count:2
Exact Mass:213.9588348
Monoisotopic Mass:213.9588348
Topological Polar Surface Area:26.3
Heavy Atom Count:13
Complexity:273
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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3,4-Dichloroisocoumarin

Unit Price: $44340-45000 /G FOB

CAS No.: 51050-59-0

Grade: Industrial Grade

Content: 98%

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