2-Methyl-4-nitroaniline (HCID 7441)

Names & identifiers

Preferred name: 2-Methyl-4-nitroaniline
IUPAC: 2-methyl-4-nitroaniline
English name: 2-Methyl-4-nitroaniline
Molecular formula: C7H8N2O2
Molecular weight: 152.15

Names & synonyms

2-Methyl-4-nitroaniline99-52-52-Amino-5-nitrotoluene4-Nitro-o-toluidineBenzenamine, 2-methyl-4-nitro-2-Methyl-4-nitrobenzenamine2-Methyl-4-nitrophenylamine4-NITRO-2-TOLUIDINE4-Nitro-o-toludineCCRIS 28772-Methyl-p-nitroanilineDTXSID3025629

Show more names

FAST REDPNOTredrlbase2-AMino-5-FAST RED RL BASETemloTempraCI 37100

FFY36EWC4RNSC 2075EINECS 202-762-13-Methyl-4-aminonitrobenzeneBRN 0775772Azoic diazo component 34, baseAI3-163122-Amino-1-methyl-5-nitrobenzene

Database identifiers

CAS: 99-52-5
PubChem CID: 7441
DTXSID: DTXSID3025629
ChEMBL: CHEMBL1319213
UNII: FFY36EWC4R
EC Number: 202-762-1
Nikkaji: J95.088B

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 71.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 155

Physicochemical properties

Melting point: 130 · 130-132 °C(lit.)
Boiling point: 294.61 °C · 294.61°C (rough estimate)
Density: 1.1586 · 1.1586
vapor pressure: 20.4 hPa · 20.4hPa at 133.5℃
refractive index: 1.6276 · 1.6276 (estimate)
Flash point: 157.2 ℃ · 157.2℃
storage temp.: 30 °C · Store below +30°C.
solubility: Dichloromethane, DMSO, Ethyl Acetate, Methanol
form: Crystalline Powder or Fine Needles
pka: 0.92 · 0.92±0.10(Predicted)
Colour Index: 37100 · 37100
color: Yellow to khaki or brownish
PH: 7 · 7 (H2O)(aqueous suspension)
Water Solubility: 0.1 g/100 · <0.1 g/100 mL at 22 ºC
BRN: 775772 · 775772
InChI: 1S/C7H8N2O2/c1-5-4-6(9(10)11)2-3-7(5)8/h2-4H,8H2,1H3
InChIKey: XTTIQGSLJBWVIV-UHFFFAOYSA-N
SMILES: Cc1cc(ccc1N)[N+]([O-])=O
LogP: 1.311 at · 1.311 at 25℃
CAS DataBase Reference: 99 · 99-52-5(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 36 EWC4R · FFY36EWC4R
NIST Chemistry Reference: 5 · 5-Nitro-2-aminotoluene(99-52-5)
EPA Substance Registry System: 2 · 2-Methyl-4-nitroaniline (99-52-5)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 6 · GHS06,GHS08,GHS09
Signal word: Danger
Hazard statements: 301 · H301+H311+H331-H315-H319-H373-H341-H411
Precautionary statements: 501 · P501-P273-P260-P270-P202-P201-P271-P264-P280-P391-P308+P313-P337+P313-P305+P351+P338-P361+P364-P332+P313-P301+P310+P330-P302+P352+P312-P304+P340+P311-P403+P233-P405
PPE: 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
Hazard Codes: T,N,Xi
Risk Statements: 23 · 23/24/25-33-51/53
Safety Statements: 28 · 28-36/37-45-61-28A
RIDADR: 2660 · UN 2660 (NITROTOLUIDINES (MONO))
WGK Germany: 2 · 2
RTECS: 8210000 · XU8210000
Hazard Note: Irritant
TSCA: TSCA listed
HazardClass: 6.1 · 6.1
PackingGroup: III
HS Code: 29214300 · 29214300
Storage Class: 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: 3 DermalAcute · Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralAquatic Chronic 2STOT RE 2
REACH Registrations: Inactive
Limited Quantities: 5 kg · 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

Safety data

PPE: dust mask type N95 (US), Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
wgk: 2
tsca: TSCA listed
rtecs: XU8210000
ridadr: UN 2660 (NITROTOLUIDINES (MONO))
hs_code: 29214300
risk_code: 23/24/25-33-51/53
Signal word: Danger
Symbol(GHS): GHS06,GHS08,GHS09
hazard_code: T,N,Xi
hazard_note: Irritant
safety_code: 28-36/37-45-61-28A
hazard_class: 6.1
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
packing_group: III
Hazard statements: H301+H311+H331-H315-H319-H373-H341-H411
Limited Quantities: 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
REACH Registrations: Inactive
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralAquatic Chronic 2STOT RE 2
Precautionary statements: P501-P273-P260-P270-P202-P201-P271-P264-P280-P391-P308+P313-P337+P313-P305+P351+P338-P361+P364-P332+P313-P301+P310+P330-P302+P352+P312-P304+P340+P311-P403+P233-P405

Chemistry & industry

Applications · 4 items

Description2-Methyl-4-nitroaniline was used in preparing in-plane aligned nanofibers by the electrospinning technique. It was the starting reagent in the synthesis of 3-chloro-5-methylphenyl isocyanate. It was used to deposit polycrystalline thin films on Ag, Cu and Si by conventional and partially ionized beam deposition.

UsesA red azoic dye.

Uses2-Methyl-4-nitroaniline was used in preparing in-plane aligned nanofibers by the electrospinning technique. It was the starting reagent in the synthesis of 3-chloro-5-methylphenyl isocyanate. It was used to deposit polycrystalline thin films on Ag, Cu and Si by conventional and partially ionized beam deposition.

General DescriptionYellow needles or mustard yellow powder.

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]

常州帝通化工有限公司+86-0519-88298848 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

Related reactions

155 records

New reaction record

HRID 26366As reactantuspto-grants-1979_04

HRID 38146As reactantuspto-grants-2013_09

HRID 93019As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 102895As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 133767As reactantuspto-grants-2008_06

HRID 161573As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 175252As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 268437As reactantuspto-grants-1976_03

Linked notes

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2-Methyl-4-nitroaniline

Basic information