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4-Azidobenzoic acid

4-Azidobenzoic acid structure

CAS No:
6427-66-3
Formula:
C7H5N3O2
Chemical Name:
4-Azidobenzoic acid
Synonyms:
Benzoic acid,4-azido-;Benzoic acid,p-azido-;4-Azidobenzoic acid;p-Azidobenzoic acid;4-Carboxyphenyl azide;NSC 80932;2137577-66-1
Categories:
Organic Chemistry > Azides

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4-Azidobenzoic acid Basic Attributes

Molecular Weight：

163.13

Exact Mass：

163.038177

EC Number：

229-198-9

NSC Number：

80932

DSSTox ID：

DTXSID90214492

HScode：

2929909090

Characteristics

PSA：

87.05000

XLogP3：

2.54

Density：

1.352 g/mL at 25 °C(lit.)

Melting Point：

180 °C @ Solvent: Water

Boiling Point：

73-75 °C0.35 mm Hg(lit.)

Flash Point：

-33℃

Refractive Index：

n20/D 1.398(lit.)

Storage Conditions：

2-8°C

Safety Information

Hazard category：

4.1

Transport codes：

1479

wgk germany：

hazard class code：

5-36/37/38-48/20/21/22-38-11

safety instructions：

15-26-36/37/39-16

Marks：

F,Xn

Precautionary statement(s)：

P210

Hazard Statements：

H225-H315-H373

GHS Classification：

|Danger|H241 (95%): Heating may cause a fire or explosion [Danger Self-reactive substances and mixtures; Organic peroxides]|P210, P220, P234, P260, P261, P264, P270, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P314, P321, P332+P313, P337+P313, P362, P370+P378, P370+P380+P375, P403+P233, P403+P235, P405, P411, P420, and P501|Aggregated GHS information provided by 40 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

4-azidobenzoic acid

4-Azidobenzoic acid Use and Manufacturing

A benzoic acid derivative used in photolysis reactions and biomaterial studies.

Computed Properties

Molecular Weight:163.13
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:163.038176411
Monoisotopic Mass:163.038176411
Topological Polar Surface Area:51.7
Heavy Atom Count:12
Complexity:215
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 6427-66-3

Grade: Industrial Grade

Content: 99%

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