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4-Chlorocatechol

4-Chlorocatechol structure

CAS No:
2138-22-9
Formula:
C6H5ClO2
Chemical Name:
4-Chlorocatechol
Synonyms:
1,2-Benzenediol,4-chloro-;Pyrocatechol,4-chloro-;4-Chloro-1,2-benzenediol;4-Chlorocatechol;4-Chloropyrocatechol;4-Chloro-1,2-dihydroxybenzene
Categories:
Organic Chemistry > Coordination Complexes

Description

ChEBI: A chlorocatechol that is catechol substituted by a chloro group at position 4.

Solid

4-chlorocatechol is a chlorocatechol that is catechol substituted by a chloro group at position 4. It has a role as a bacterial xenobiotic metabolite. It is a member of monochlorobenzenes and a chlorocatechol.

4-Chlorocatechol Basic Attributes

Molecular Weight：

144.56

Exact Mass：

144.56

EC Number：

218-381-9

UNII：

I01EXU3P3J

DSSTox ID：

DTXSID7022176

HScode：

2908199090

Characteristics

PSA：

40.5

XLogP3：

2.3

Appearance：

Solid

Density：

1.5±0.1 g/cm3

Melting Point：

90.5 °C

Boiling Point：

136-136.5 °C @ Press: 8.5 Torr

Flash Point：

115.3±21.8 °C

Refractive Index：

1.629

Storage Conditions：

Keep tightly closed.

Vapor Pressure：

0.00505mmHg at 25°C

Safety Information

Packing level：

Transport codes：

UN 1759 8/PG 2

wgk germany：

hazard class code：

R34

safety instructions：

S26-S36/37/39-S45

RTECS Number：

UX1490000

Marks：

C: Corrosive;

Stability/Shelf Life：

Stable at normal temperatures and pressures.

Precautionary statement(s)：

P280-P305 + P351 + P338-P310

Hazard Statements：

H314

GHS Classification：

|Danger|H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

4-chloro-1,2-benzenediol

Computed Properties

Molecular Weight:144.55
XLogP3:2.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Exact Mass:143.9978071
Monoisotopic Mass:143.9978071
Topological Polar Surface Area:40.5
Heavy Atom Count:9
Complexity:97.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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