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4-(2H-1,2,3,4-TETRAAZOL-5-YL)BENZOICACID

4-(2H-1,2,3,4-TETRAAZOL-5-YL)BENZOICACID structure

CAS No:
34114-12-0
Formula:
C8H6N4O2
Chemical Name:
4-(2H-1,2,3,4-TETRAAZOL-5-YL)BENZOICACID
Synonyms:
BUTTPARK 21\02-63;4-(2H-TETRAZOL-5-YL)-BENZOIC ACID;4-(2H-1,2,3,4-TETRAAZOL-5-YL)BENZOIC ACID;TIMTEC-BB SBB002457;4（1H-tetrazd-5-yl）benzoic acid;5-(p-Carboxyphenyl)tetrazole;NSC 282009;4-(1H-Tetrazol-5-yl)benzoic acid 97%
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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4-(2H-1,2,3,4-TETRAAZOL-5-YL)BENZOICACID Basic Attributes

Molecular Weight：

190.16

Exact Mass：

190.04907545 g/mol

NSC Number：

282009

DSSTox ID：

DTXSID70314323

HScode：

2933990090

Characteristics

PSA：

91.76000

XLogP3：

0.56490

Density：

1.518

Melting Point：

248-250℃

Boiling Point：

467.5±47.0 °C(Predicted)

Flash Point：

236.5ºC

PKA：

3?+-.0.10

Safety Information

Hazard category：

IRRITANT

hazard class code：

Marks：

Xi,Xn

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 6 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:190.16
XLogP3:0.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:190.04907545
Monoisotopic Mass:190.04907545
Topological Polar Surface Area:91.8
Heavy Atom Count:14
Complexity:215
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 34114-12-0

Grade: Industrial Grade

Content: 99%

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Guide of 4-(2H-1,2,3,4-TETRAAZOL-5-YL)BENZOICACID

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Characteristics
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