3-METHYL-4-NITROBENZOIC ACID

CAS No.
96-98-0 ;3113-71-1
CCD No.
CCD00006871
Formula
C8 H7 N O4
MolWeight
181.146

Basic Information

Product Name: 3-METHYL-4-NITROBENZOIC ACID
CAS: 96-98-0 ;3113-71-1
English Synonyms: BENZOIC ACID, 3-METHYL-4-NITRO- ; 4-METHYL-3-NITROBENZOIC ACID 99% ; 4-NITRO-M-TOLUIC ACID ; 4-NITRO-3-METHYLBENZOIC ACID ; 3-METHYL-4-NITROBENZOIC ACID ; 2-NITROTOLUENE-5-CARBOXYLIC ACID
MDL Number.: MFCD00007168
H bond acceptor: 5
H bond donor: 1
Smile: Cc1cc(ccc1[N+](=O)[O-])C(=O)O
InChi: InChI=1S/C8H7NO4/c1-5-4-6(8(10)11)2-3-7(5)9(12)13/h2-4H,1H3,(H,10,11)
InChiKey: InChIKey=XDTTUTIFWDAMIX-UHFFFAOYSA-N

Property

Melting Point: 216-218 DEG C(LIT)/216-218 °C
Comments: UNSPSC: 12352100
WGK: 3

Safety information

Symbol: GHS07 GHS07
Signal word: Warning
Hazard statements: H315-H319-H335
Precautionary statements: P261-P305 + P351 + P338
hazard symbol: Xi
Risk Code: R:36/37/38
Safe Code: S:26-36
WGK Germany: 3

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