Basic information
- Standard SMILES
Cc1cccc([N+](=O)[O-])c1N- InChIKey
FCMRHMPITHLLLA-UHFFFAOYSA-N- Molecular formula
- C7H8N2O2
- Average molar mass
- 152.15 g/mol
- Monoisotopic mass
- 152.0585775
Overview
2-methyl-6-nitroaniline appears as orange-yellow prisms or brown granular powder. (NTP, 1992)
Names & identifiers
- Preferred name
- 2-Methyl-6-nitroaniline
- IUPAC
- 2-methyl-6-nitroaniline
- English name
- 2-Methyl-6-nitroaniline
- Molecular formula
- C7H8N2O2
- Molecular weight
- 152.15
Names & synonyms
Show more names
Database identifiers
- CAS
570-24-1、60999-18-0- PubChem CID
- 11298
- DTXSID
DTXSID7025631- UNII
- OUP165YKBC
- EC Number
- 209-329-6
- Nikkaji
- J28.416E
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 155
Experimental & physicochemical properties
Physical Description
2-methyl-6-nitroaniline appears as orange-yellow prisms or brown granular powder. (NTP, 1992)
Orange-yellow or brown solid; [CAMEO] Dark red solid; [EC: SCCNFP] Dark red crystalline solid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 93 · 93-96 °C (lit.)
- Boiling point
- 124 °C · 124 °C / 1mmHg
- Density
- 1.19 g/cm3 · 1.19 g/cm3
- refractive index
- 1.6276 · 1.6276 (estimate)
- Flash point
- 110 °C · 110 °C
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- 1 mg/l · <1mg/l
- pka
- -0.44 · -0.44±0.25(Predicted)
- form
- Crystalline Powder
- color
- Brownish
- Water Solubility
- 0.1 g/100 · <0.1 g/100 mL at 23 ºC
- BRN
- 1868029 · 1868029
- Henry's Law Constant
- 4.6 · 4.6×101 mol/(m3Pa) at 25℃, Abraham and Jr. (2019)
- Cosmetics Ingredients Functions
- HAIR DYEING
- InChI
- 1S/C7H8N2O2/c1-5-3-2-4-6(7(5)8)9(10)11/h2-4H,8H2,1H3
- InChIKey
- FCMRHMPITHLLLA-UHFFFAOYSA-N
- SMILES
- Cc1cccc(c1N)[N+]([O-])=O
- CAS DataBase Reference
- 570 · 570-24-1(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1-4
- FDA UNII
- 165 YKBC · OUP165YKBC
- NIST Chemistry Reference
- 2 · 2-Methyl-6-nitroaniline(570-24-1)
- EPA Substance Registry System
- 2 · 2-Methyl-6-nitroaniline (570-24-1)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 6 · GHS06,GHS08,GHS09
- Signal word
- Danger
- Hazard statements
- 301 · H301+H311+H331-H373-H410
- Precautionary statements
- 273 · P273-P280-P301+P310-P302+P352+P312-P304+P340+P311-P314
- PPE
- 2 · 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 6.1/PG 3
- WGK Germany
- 3 · 3
- F
- 10 · 10
- Hazard Note
- Toxic
- 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 Acute 1Aquatic 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
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P319, P321, P330, P361+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H311: Toxic in contact with skin [Danger Acute toxicity, dermal]
Hazard information
Regulatory Information
Chemical: Benzenamine, 2-methyl-6-nitro-
Status: No longer Valid Update: 25-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24595
6-Nitro-o-toluidine: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
A mild skin and eye irritant in rabbits at 3% concentration in 1,2-propanediol; No evidence of skin sensitization in guinea pigs; Hepatotoxicity observed in 28-day oral studies of rats; No evidence of embryotoxicity or teratogenicity in rats; [EC: SCCNFP] May cause irritation; May induce methemoglobinemia; Toxic by ingestion, inhalation, and skin absorption; Targets the blood; [Sigma-Aldrich MSDS] See 2-Nitroaniline.
Hazard Classes and Categories
Acute Tox. 3 (100%)
Acute toxicity - category 3
Safety & protection
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: If a spill of this chemical occurs, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with acetone and transfer the dampened material to a suitable container. Use absorbent paper dampened with acetone to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
Personal Protective Equipment (PPE)
RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)
Toxicology
Safety data
- F
- 10
- PPE
- Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
- wgk
- 3
- ridadr
- UN 2660 6.1/PG 3
- 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
- Toxic
- safety_code
- 28-36/37-45-61-28A
- hazard_class
- IRRITANT
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- packing_group
- Ⅲ
- Hazard statements
- H301+H311+H331-H373-H410
- 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 Acute 1Aquatic Chronic 2STOT RE 2
- Precautionary statements
- P273-P280-P301+P310-P302+P352+P312-P304+P340+P311-P314
Chemistry & industry
Uses & manufacturing
Uses
Used in semi-permanent hair dyes; [EC: SCCNFP]
Dressing Hair [Category: Other]
Applications
Uses2-Methyl-6-nitroaniline is a compound useful in organic synthesis. Dyes and metabolites, Environmental Testing.
Uses2-Methyl-6-nitroaniline (cas# 570-24-1) is a compound useful in organic synthesis. Dyes and metabolites, Environmental Testing
General DescriptionOrange-yellow prisms or brown granular powder.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
Related reactions
Linked notes
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