4-Nitro-2,5-xylidine

HCID 18963
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Basic information

CAS
3460-29-5
Standard SMILES
Cc1cc([N+](=O)[O-])c(C)cc1N
InChIKey
PJAGNJQUIUEGKP-UHFFFAOYSA-N
Molecular formula
C8H10N2O2
Average molar mass
166.18 g/mol
Monoisotopic mass
166.07422756

Names & identifiers

Preferred name
4-Nitro-2,5-xylidine
IUPAC
2,5-dimethyl-4-nitroaniline
English name
4-nitro-2,5-xylidine
Molecular formula
C8H10N2O2
Molecular weight
166.18

Names & synonyms

2,5-Dimethyl-4-nitroaniline4-Nitro-2,5-xylidine2,5-dimethyl-4-nitroBenzenamineANILINE, 2,5-DIMETHYL-4-NITRO-NSC 43207EINECS 222-405-3BRN 27191838BP5N998ZPNSC-43207DTXSID401881744-12-00-02573 (Beilstein Handbook Reference)RefChem:198754
Show more names
NSC 1351564-Nitro-2,5-xylidine, 2-Amino-5-nitro-p-xylene
DTXCID70110665222-405-33460-29-5Benzenamine, 2,5-dimethyl-4-nitro-MFCD000252072,5-dimethyl-4-nitro-anilineNSC4320725-Dimethyl-4-nitroaniline

Database identifiers

CAS
3460-29-5
PubChem CID
18963
DTXSID
DTXSID40188174
UNII
8BP5N998ZP
EC Number
222-405-3
Nikkaji
J55.224K

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
71.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
12

Physicochemical properties

Melting point
144 · 144-146℃
Boiling point
342.5 · 342.5±37.0 °C(Predicted)
Density
1.22 · 1.220±0.06 g/cm3(Predicted)
storage temp.
Keep in dark place,Inert atmosphere,Room temperature
pka
1.05 · 1.05±0.14(Predicted)
Appearance
Colorless to light yellow Liquid

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

hs_code
2921420090
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302+H312+H332-H315-H319-H335
Precautionary statements
P280

Chemistry & industry

Upstream & downstream products

Suppliers48 total

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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