3,5-DIMETHYL-4-NITROBENZOICACID
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3,5-DIMETHYL-4-NITROBENZOICACID
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CAS No:
3095-38-3
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Formula:
C9H9NO4
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Chemical Name:
3,5-DIMETHYL-4-NITROBENZOICACID
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Synonyms:
TIMTEC-BBSBB000338;3,5-Dimethyl-4-Nitrobezoicacid;3,5-DIMETHYL-4-NITROBENZOICACID;4-NITRO-3,5-DIMETHYLBENZOICACID;3,5-DIMETHYL-4-NITROBENZOICACID97%;3,5-DiMethyl-4-nitrobenzoicacid,97%,97%
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CAS No:
Characteristics
83.12000
2.81
1.3±0.1 g/cm3
221-223°C
356.5±30.0 °C at 760 mmHg
157.9±13.0 °C
1.590
Insoluble in water.
Safety Information
R36/37/38
S26-S36
P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, P501
H302
|Warning|H302 (90.48%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501|Aggregated GHS information provided by 42 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:195.17
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:195.05315777
Monoisotopic Mass:195.05315777
Topological Polar Surface Area:83.1
Heavy Atom Count:14
Complexity:236
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes