2,3-Dimethyl-6-nitroaniline

HCID 597166

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Basic information

CAS: 59146-96-2
Standard SMILES: Cc1ccc([N+](=O)[O-])c(N)c1C
InChIKey: YEFYPFWBLCARLC-UHFFFAOYSA-N
Molecular formula: C8H10N2O2
Average molar mass: 166.18 g/mol
Monoisotopic mass: 166.07422756

Names & identifiers

Preferred name: 2,3-Dimethyl-6-nitroaniline
IUPAC: 2,3-dimethyl-6-nitroaniline
English name: 2,3-Dimethyl-6-nitroaniline
Molecular formula: C8H10N2O2
Molecular weight: 166.18

Names & synonyms

2,3-Dimethyl-6-nitroaniline59146-96-26-Nitro-2,3-xylidinebenzenamine, 2,3-dimethyl-6-nitro-DTXSID60344472RefChem:81840DTXCID70295547628-895-9InChI=1/C8H10N2O2/c1-5-3-4-7(10(11)12)8(9)6(5)2/h3-4H,9H2,1-2HYEFYPFWBLCARLC-UHFFFAOYSA-NMFCD000101482,3-dimethyl-6-nitro-aniline

Show more names

TIMTEC-BB SBB0065366-Nitro-2,3-xylidine>2,3-Dimethyl-6-nitroaniline2,3-Dimethyl-6-nitroaniline,97%2,3-DIMETHYL-6-NITROANILINE 98%2,3-Dimethyl-6-nitroaniline,6-Nitro-2,3-xylidine6-Nitro-2,3-xylidine, 2-Amino-3,4-dimethylnitrobenzene, 3-Amino-4-nitro-o-xylene

2,3-dimethyl-6-nitrophenylamine2,3-Dimethyl-6-nitrobenzenamine4-Nitro-3-aminoxylolSCHEMBL2656793JCA14696(2,3-Dimethyl-6-nitrophenyl)amineSBB006536AKOS000121611

Database identifiers

CAS: 59146-96-2
PubChem CID: 597166
DTXSID: DTXSID60344472
EC Number: 628-895-9
Nikkaji: J141.316C

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 71.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 178

Physicochemical properties

Melting point: 117 · 117-120 °C(lit.)
Boiling point: 314.38 °C · 314.38°C (rough estimate)
Density: 1.22 · 1.220±0.06 g/cm3 (20 ºC 760 Torr)
refractive index: 1.6273 · 1.6273 (estimate)
storage temp.: 2 · 2-8°C, protect from light
form: Crystalline Powder
pka: -0.16 · -0.16±0.25(Predicted)
color: Dark yellow to orange-brown
CAS DataBase Reference: 59146 · 59146-96-2(CAS DataBase Reference)
Symbol(GHS): 6 · GHS06,GHS07
Signal word: Danger
Hazard statements: 301 · H301+H311+H331-H315-H319-H302-H312-H331-H335
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P310+P330-P302+P352+P312+P361+P364-P304+P340+P311-P305+P351+P338+P337+P313-P403+P233-P405-P501-P304+P340-P305+P351+P338-P501a
Hazard Codes: Xn
Risk Statements: 20 · 20/21/22-36/37/38
Safety Statements: 26 · 26-36
RIDADR: 2811 · 2811
WGK Germany: 3 · 3
HazardClass: 6.1 · 6.1
PackingGroup: III
HS Code: 29214200 · 29214200

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (97.7%)

Safety data

wgk: 3
ridadr: 2811
hs_code: 29214200
risk_code: 20/21/22-36/37/38
Signal word: Danger
Symbol(GHS): GHS06,GHS07
hazard_code: Xn
safety_code: 26-36
hazard_class: 6.1
packing_group: III
Hazard statements: H301+H311+H331-H315-H319-H302-H312-H331-H335
Precautionary statements: P261-P264-P270-P271-P280-P301+P310+P330-P302+P352+P312+P361+P364-P304+P340+P311-P305+P351+P338+P337+P313-P403+P233-P405-P501-P304+P340-P305+P351+P338-P501a