3-Amino-4-chlorobenzoic acid
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3-Amino-4-chlorobenzoic acid
structure -
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CAS No:
2840-28-0
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Formula:
C7H6ClNO2
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Chemical Name:
3-Amino-4-chlorobenzoic acid
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Synonyms:
Benzoic acid,3-amino-4-chloro-;3-Amino-4-chlorobenzoic acid;4-Chloro-3-aminobenzoic acid;NSC 211572;4-Chloro-5-aminobenzoic acid
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CAS No:
3-Amino-4-chlorobenzoic acid Basic Attributes
171.58
171.58
2085846
220-635-9
3Q8R4430CF
211572
DTXSID8044414
29224995
Characteristics
63.3
1.8
Light beige to beige Powder
1.5±0.1 g/cm3
214 °C
358.7°C at 760 mmHg
170.7±23.7 °C
1.649
Store below +30°C.
9.08E-06mmHg at 25°C
Safety Information
NONH for all modes of transport
3
36/37/38
26-36-37/39
Xi
Stable under normal temperatures and pressures.
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H315 (33.58%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 135 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3-Amino-4-chlorobenzoic acid Use and Manufacturing
To a stirred solution of 3-amino-4-chloro-benzoic acid methyl ester (0.300 g, 1.62 mmol) in tetrahydrofuran (20 mL) was added a solution of lithium hydroxide (0.340 g, 8.10 mmol) in water (5 mL) and reaction was stirred at room temperature for 12 hours (monitored by silica TLC; ethyl acetate-hexanes, 1:1).
Dye intermediate.
Benzoic acid, 3-amino-4-chloro-: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Computed Properties
Molecular Weight:171.58
XLogP3:1.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:171.0087061
Monoisotopic Mass:171.0087061
Topological Polar Surface Area:63.3
Heavy Atom Count:11
Complexity:163
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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