 Home > Encyclopedia > 3,4-Dichlorobenzoic acid

3,4-Dichlorobenzoic acid

3,4-Dichlorobenzoic acid structure

CAS No:
51-44-5
Formula:
C7H4Cl2O2
Chemical Name:
3,4-Dichlorobenzoic acid
Synonyms:
Benzoic acid,3,4-dichloro-;3,4-Dichlorobenzoic acid;NSC 17583;NSC 34414
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

White to light yellow crystal powder

3,4-dichlorobenzoic acid is a chlorobenzoic acid carrying chloro substituents at positions 3 and 4. It is a conjugate acid of a 3,4-dichlorobenzoate.

3,4-Dichlorobenzoic acid Basic Attributes

Molecular Weight：

191.01

Exact Mass：

191.01

EC Number：

200-099-2

UNII：

YS4ZR9BXWX

NSC Number：

34414|17583

DSSTox ID：

DTXSID9024980

HScode：

2916399090

Characteristics

PSA：

37.3

XLogP3：

3.5

Appearance：

White to light yellow crystal powder

Density：

1.5±0.1 g/cm3

Melting Point：

350 °C (decomp)

Boiling Point：

317.8°C at 760 mmHg

Flash Point：

146.0±22.3 °C

Refractive Index：

1.599

Water Solubility：

insoluble

Storage Conditions：

Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S36-S37/39

RTECS Number：

DG7175000

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 49 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

Bioconcentration：

2.29

Drug Information

MeSH Entry Terms：

3,4-dichlorobenzoic acid

3,4-Dichlorobenzoic acid Use and Manufacturing

Manufacturing Info：

Benzoic acid, 3,4-dichloro-: ACTIVE

Computed Properties

Molecular Weight:191.01
XLogP3:3.5
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:161
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of 3,4-Dichlorobenzoic acid

HANGZHOU LEAP CHEM CO., LTD. Contact Supplier

CN
5 YRS

Business licensed

Trader Supplier of Intermediates,Building blocks,API,Silicones,Peptides,Lab chemicals,Biochemicals,Pharmaceuticals,Screening Compounds,Food Additives

3,4-Dichlorobenzoic acid

CAS No.: 51-44-5

Content: 99.00%

Inquiry
Chemcrux Enterprises Ltd. Contact Supplier

IN
1 YR

Business licensed Certified factory

Manufactory Supplier of Speciality Chemicals

3,4-Dichlorobenzoic acid

Unit Price: $2.8-3.2 /KG FOB

CAS No.: 51-44-5

Grade: Pharmaceutical Grade

Content: 99%

Inquiry