4-(Acetylamino)-3-nitrobenzoic acid
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4-(Acetylamino)-3-nitrobenzoic acid
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CAS No:
1539-06-6
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Formula:
C9H8N2O5
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Chemical Name:
4-(Acetylamino)-3-nitrobenzoic acid
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Synonyms:
Benzoic acid,4-(acetylamino)-3-nitro-;Benzoic acid,4-acetamido-3-nitro-;4-(Acetylamino)-3-nitrobenzoic acid;4-Acetamido-3-nitrobenzoic acid;NSC 190738;3-Nitro-4-acetamidobenzoic acid
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CAS No:
4-(Acetylamino)-3-nitrobenzoic acid Basic Attributes
224.17
224.17
2217819
216-265-2
9W2250FZKC
190738
DTXSID3061766
29242990
Characteristics
112
1.43
beige to yellow crystalline powder
1.5±0.1 g/cm3
219 °C
497.4±40.0 °C at 760 mmHg
254.6±27.3 °C
1.657
1.03E-10mmHg at 25°C
Safety Information
NONH for all modes of transport
3
43-36/37/38
36/37-37/39-26-36
Xi
P280
H317
|Warning|H317 (90.48%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P272, P280, P302+P352, P321, P333+P313, P363, and P501|Aggregated GHS information provided by 42 companies from 2 notifications to the ECHA C&L Inventory.
4-(Acetylamino)-3-nitrobenzoic acid Use and Manufacturing
Benzoic acid, 4-(acetylamino)-3-nitro-: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Computed Properties
Molecular Weight:224.17
XLogP3:0.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:224.04332136
Monoisotopic Mass:224.04332136
Topological Polar Surface Area:112
Heavy Atom Count:16
Complexity:312
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4-(Acetylamino)-3-nitrobenzoic acid
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