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2-AMINO-4-(METHYLSULFONYL)BENZOICACID

2-AMINO-4-(METHYLSULFONYL)BENZOICACID structure

CAS No:
393085-45-5
Formula:
C8H9NO4S
Chemical Name:
2-AMINO-4-(METHYLSULFONYL)BENZOICACID
Synonyms:
2-Amino-4-(methylsulfonyl)benzoic acid;2-amino-4-methylsulfonylbenzoic acid;2-amino-4-methanesulfonylbenzoic acid;2-Amino-4-(methylsulfonyl)benzoicacid;2-amino-4-(methylsulphonyl)benzoic acid;MFCD04037927;SCHEMBL1018611;CTK4I1259;KS-00002AJK;DTXSID90375512

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2-AMINO-4-(METHYLSULFONYL)BENZOICACID Basic Attributes

Molecular Weight：

215.23

Exact Mass：

215.025

DSSTox ID：

DTXSID90375512

HScode：

2922499990

Characteristics

PSA：

106

XLogP3：

1.3

Density：

1.473±0.06 g/cm3(Predicted)

Melting Point：

245°C

Boiling Point：

493.5°C at 760 mmHg

Flash Point：

252.2ºC

Refractive Index：

1.602

Safety Information

Marks：

Precautionary statement(s)：

P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

Hazard Statements：

H302+H312+H332

GHS Classification：

|Warning|H302+H312+H332 (95.7%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 93 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-AMINO-4-(METHYLSULFONYL)BENZOICACID Use and Manufacturing

Use Classification：

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

Agrochemical：

2-amino-4-methylsulfonylbenzoic acid is a known environmental transformation product of mesotrione.|AMBA is a known environmental transformation product of Mesotrione.

Computed Properties

Molecular Weight:215.23
XLogP3:1.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:215.02522894
Monoisotopic Mass:215.02522894
Topological Polar Surface Area:106
Heavy Atom Count:14
Complexity:319
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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2-AMINO-4-(METHYLSULFONYL)BENZOICACID

CAS No.: 393085-45-5

Content: 99.00%

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Guide of 2-AMINO-4-(METHYLSULFONYL)BENZOICACID

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
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2-AMINO-4-(METHYLSULFONYL)BENZOICACID

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