5-METHYL-2-NITROBENZOIC ACID

CAS No.
3113-72-2
CCD No.
CCD00007071
Formula
C8 H7 N O4
MolWeight
181.146

Basic Information

Product Name: 5-METHYL-2-NITROBENZOIC ACID
CAS: 3113-72-2
English Synonyms: 3-METHYL-6-NITROBENZOIC ACID ; 5-METHYL-2-NITROBENZOIC ACID ; 6-NITRO-M-TOLUIC ACID ; 2-NITRO-5-METHYLBENZOIC ACID ; BENZOIC ACID, 5-METHYL-2-NITRO- ; 2-CARBOXY-4-METHYLNITROBENZENE ; 3-CARBOXY-4-NITROTOLUENE ; 6-NITRO-M-TOLUYLIC ACID
MDL Number.: MFCD00007368
H bond acceptor: 5
H bond donor: 1
Smile: Cc1ccc(c(c1)C(=O)O)[N+](=O)[O-]
InChi: InChI=1S/C8H7NO4/c1-5-2-3-7(9(12)13)6(4-5)8(10)11/h2-4H,1H3,(H,10,11)
InChiKey: InChIKey=QRRSIFNWHCKMSW-UHFFFAOYSA-N

Property

Melting Point: 134-136 DEG C(LIT)/133.0 - 137.0°C
Comments: UNSPSC: 12352100
WGK: 3

Safety information

hazard symbol: Xn
Risk Code: R:R36/37/38
Safe Code: S:S26;S37
WGK Germany: 3

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