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Chlorthal

Chlorthal structure

CAS No:
2136-79-0
Formula:
C8H2Cl4O4
Chemical Name:
Chlorthal
Synonyms:
1,4-Benzenedicarboxylic acid,2,3,5,6-tetrachloro-;Terephthalic acid,tetrachloro-;2,3,5,6-Tetrachloro-1,4-benzenedicarboxylic acid;2,3,5,6-Tetrachloroterephthalic acid;Chlorthal;Tetrachloroterephthalic acid;Perchloroterephthalic acid;TCPA;NSC 12443
Categories:
Organic Chemistry > Coordination Complexes

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Description

Solid

Chlorthal is a 2-hydroxyisophthalic acid.

Chlorthal Basic Attributes

Molecular Weight：

303.9

Exact Mass：

303.91

UNII：

96C2WU8832

NSC Number：

12443

DSSTox ID：

DTXSID3039400

HScode：

2917399013

Characteristics

PSA：

74.6

XLogP3：

3.85

Appearance：

Solid

Density：

1.9±0.1 g/cm3

Melting Point：

330 °C (decomp) @ Solvent: Acetic acid

Boiling Point：

425.2±45.0 °C at 760 mmHg

Flash Point：

210.9±28.7 °C

Refractive Index：

1.657

Vapor Pressure：

5.48E-08mmHg at 25°C

Safety Information

RTECS Number：

CZ4400000

Marks：

C: Corrosive;

Precautionary statement(s)：

P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|Aggregated GHS information provided by 4 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:303.9
XLogP3:3.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:303.867769
Monoisotopic Mass:301.870719
Topological Polar Surface Area:74.6
Heavy Atom Count:16
Complexity:264
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Downstream Products

Dacthal

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