Methyl 4-amino-3-bromobenzoate
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Methyl 4-amino-3-bromobenzoate
structure -
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CAS No:
106896-49-5
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Formula:
C8H8BrNO2
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Chemical Name:
Methyl 4-amino-3-bromobenzoate
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Synonyms:
Benzoic acid,4-amino-3-bromo-,methyl ester;2-Bromo-4-methoxycarbonylaniline;Methyl 4-amino-3-bromobenzoate;4-Amino-3-bromobenzoic acid methyl ester
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CAS No:
Characteristics
52.3
2.39910
Brown Crystalline Powder
1.6270 (rough estimate)
105-109 °C
334.2±22.0 °C(Predicted)
155.9±22.3 °C
1.6120 (estimate)
0.00013mmHg at 25°C
Safety Information
Ⅲ
UN 2811 6.1/PG 3
3
22-36-36/37/38
26-36/37-37/39
Xn,Xi
Irritant
P301 + P310-P305 + P351 + P338
H301-H319
|Danger|H301 (95%): Toxic if swallowed [Danger Acute toxicity, oral]|P264, P270, P280, P301+P310, P305+P351+P338, P321, P330, P337+P313, P405, 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.
Methyl 4-amino-3-bromobenzoate Use and Manufacturing
Preparation 166: 4-Amino-3-bromo-benzoic acid methyl ester; [1367] 4-Amino-benzoic acid methyl ester (17g, O.lmol) was dissolved in chloroform(25OmL). N-bromosuccinimide (2Og, O.lmol) was added at OTo a stirred solution of compound I (1.51 g) in acetic acid Br
Computed Properties
Molecular Weight:230.06
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:228.97384
Monoisotopic Mass:228.97384
Topological Polar Surface Area:52.3
Heavy Atom Count:12
Complexity:174
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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