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3,5-Dichlorobenzoic acid

3,5-Dichlorobenzoic acid structure

CAS No:
51-36-5
Formula:
C7H4Cl2O2
Chemical Name:
3,5-Dichlorobenzoic acid
Synonyms:
Benzoic acid,3,5-dichloro-;3,5-Dichlorobenzoic acid;3,5-Dichlorobenzic acid
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

White to beige powder

3,5-dichlorobenzoic acid is a chlorobenzoic acid that is benzoic acid in which the ring hydrogens at positions 3 and 5 are substituted by chloro groups. It has a role as a herbicide and a metabolite. It is a chlorobenzoic acid and a dichlorobenzene. It derives from a benzoic acid. It is a conjugate acid of a 3,5-dichlorobenzoate.

3,5-Dichlorobenzoic acid Basic Attributes

Molecular Weight：

191.007

Exact Mass：

191.01

EC Number：

200-092-4

UNII：

7BAA7R70GN

DSSTox ID：

DTXSID4024981

HScode：

2916399090

Characteristics

PSA：

37.3

XLogP3：

2.8

Appearance：

Slightly gray powder.

Density：

1.5±0.1 g/cm3

Melting Point：

188 °C

Boiling Point：

309.1°C at 760 mmHg

Flash Point：

140.7±22.3 °C

Refractive Index：

1.599

Water Solubility：

147.1mg/L(temperature not stated)

Storage Conditions：

2-8ºC

Safety Information

Transport codes：

UN 2398 3/PG 2

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S37/39-S36-S24/25-S16

RTECS Number：

DG7350000

Marks：

Xi:Irritant

Stability/Shelf Life：

Stable at room temperature in closed containers under normal storage and handling conditions.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 54 companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

3,5-dichlorobenzoic acid

3,5-Dichlorobenzoic acid Use and Manufacturing

Manufacturing Info：

Benzoic acid, 3,5-dichloro-: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Use Classification：

Environmental transformation -> Pesticide transformation products (metabolite, successor)

Agrochemical：

RH-20839 is a known environmental transformation product of Propyzamide.

Computed Properties

Molecular Weight:191.01
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:189.9588348
Monoisotopic Mass:189.9588348
Topological Polar Surface Area:37.3
Heavy Atom Count:11
Complexity:151
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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