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6-Nitro-o-toluidin

2-Methyl-6-nitroaniline

HCID 11298
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Grundinformationen

CAS
570-24-1
Standard-SMILES
Cc1cccc([N+](=O)[O-])c1N
InChIKey
FCMRHMPITHLLLA-UHFFFAOYSA-N
Summenformel
C7H8N2O2
Durchschnittliche Molmasse
152,15 g/mol
Monoisotopische Masse
152,0585775

Überblick

2-methyl-6-nitroaniline appears as orange-yellow prisms or brown granular powder. (NTP, 1992)

Namen und Bezeichner

Bevorzugter Name
2-Methyl-6-nitroaniline
IUPAC
2-methyl-6-nitroaniline
Lokaler Name
6-Nitro-o-toluidin
Englischer Name
2-Methyl-6-nitroaniline
Summenformel
C7H8N2O2
Molmasse
152.15

Namen und Synonyme

2-METHYL-6-NITROANILINE570-24-12-Amino-3-nitrotoluene6-Nitro-o-toluidineBenzenamine, 2-methyl-6-nitro-6-Methyl-2-nitroaniline1-Amino-2-methyl-6-nitrobenzene3-Nitro-2-aminotolueneo-Toluidine, 6-nitro-2-nitro-6-methylanilineNSC 286OUP165YKBC
Weitere Namen anzeigen
2-Amino-3-nitro touleneNSC 52218-6-nitroaniL6-Nitro-o-tolLABOTEST-BB LTBB0006216-Nitro-2-Methylaniline
EINECS 209-329-62-Methyl-6-nitro-benzenamineIMEXINE FPNSC-286NSC-522182-amino-3-methylnitrobenzeneDTXSID7025631FCMRHMPITHLLLA-UHFFFAOYSA-

Datenbank-Bezeichner

CAS
570-24-1、60999-18-0
PubChem CID
11298
DTXSID
DTXSID7025631
UNII
OUP165YKBC
EC Number
209-329-6
Nikkaji

Eigenschaften

Berechnete StruktureigenschaftenWird ergänzt

XLogP
2
Polarare Oberfläche (TPSA)
71,8 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
0
Schwere Atome
11
Formalladung
0
Komplexität
155

Experimentelle und physikochemische Eigenschaften

Chemical ClassesNitrogen Compounds -> Nitroanilines
CosmeticsHair dyeing
SpringerMaterials PropertiesSurface tension
Density1.19 at 212 °F (NTP, 1992) - Denser than water; will sink
Solubilityless than 1 mg/mL at 73 °F (NTP, 1992)
Melting Point199 to 205 °F (NTP, 1992)
Physical Description · 2 Einträge

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]

Physikochemische Eigenschaften

Schmelzpunkt
93 · 93-96 °C (lit.)

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 6 Einträge

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]

Gefahrenhinweise

Regulatory Information · 3 Einträge

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

Other Safety InformationIMAP assessments - Benzenamine, 2-methyl-6-nitro-: Human health tier II assessment
DOT LabelPoison
Fire HazardsFlash point data for this compound are not available, but it is probably combustible. (NTP, 1992)
Health HazardsExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Hazards Summary · 1 Eintrag

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.

Chemie und Industrie

Verwendung und Herstellung

Uses · 2 Einträge

Used in semi-permanent hair dyes; [EC: SCCNFP]

Dressing Hair [Category: Other]

Use ClassificationCosmetics -> Hair dyeing

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

2'-Methylacetanilid2-Azido-3-nitrotolueneo-Oxalotoluidide3-MethylsulfanilsureSchwefelsure2-Methyl-4-nitroacetanilideEssigsäureanhydridN-(2-Methyl-6-nitro-phenyl)-acetamideSalpetersureNitrotoluidin

Nachgelagerte Produkte

2,1,3-Benzothiadiazole-4-carboxylic acid2,1,3-Benzothiadiazol-4-ylmethanol,97%4-(Bromomethyl)-2,1,3-benzothiadiazole7-Nitro-1H-indazol1H-Indazol-7-amin

Zugehörige Reaktionen

66
Reaktionsaufzeichnung erstellen
Reaktionsgleichung von HRID 49681
HRID 49681als Eduktuspto-grants-2004_03
Reaktionsgleichung von HRID 100060
HRID 100060als ProduktTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaktionsgleichung von HRID 148846
HRID 148846als EduktTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaktionsgleichung von HRID 166449
HRID 166449als EduktTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaktionsgleichung von HRID 206161
HRID 206161als EduktTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaktionsgleichung von HRID 284940
HRID 284940als EduktTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaktionsgleichung von HRID 293600
HRID 293600als EduktTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaktionsgleichung von HRID 295774
HRID 295774als EduktTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
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J28.416E
Siedepunkt
124 °C · 124 °C / 1mmHg
Dichte
1.19 g/cm3 · 1.19 g/cm3
Brechungsindex
1.6276 · 1.6276 (estimate)
Flammpunkt
110 °C · 110 °C
storage temp.
Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit
1 mg/l · <1mg/l
pka
-0.44 · -0.44±0.25(Predicted)
Aggregatzustand
Crystalline Powder
Farbe
Brownish
Wasserlöslichkeit
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)
Kosmetik-Inhaltsstoffe Funktionen
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 Datenbank
570 · 570-24-1(CAS DataBase Reference)
NIST chemische Informationen
2 · 2-Methyl-6-nitroaniline(570-24-1)
EPA chemische Informationen
2 · 2-Methyl-6-nitroaniline (570-24-1)
Reactive GroupNitro, Nitroso, Nitrate, and Nitrite Compounds, Organic
Reactivity Profile2-METHYL-6-NITROANILINE is incompatible with acids, acid chlorides, acid anhydrides, chloroformates, and strong oxidizers. (NTP, 1992)
Air and Water ReactionsThis chemical is sensitive to prolonged exposure to air. Insoluble in water.
Hazard Classes and Categories · 2 Einträge

Acute Tox. 3 (100%)

Acute toxicity - category 3

Sicherheit und Schutzausrüstung

Fire FightingFires involving this material can be controlled using a carbon dioxide, dry chemical or Halon extinguisher. (NTP, 1992)
First Aid · 1 Eintrag

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 · 1 Eintrag

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.

Isolation and EvacuationExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Personal Protective Equipment (PPE) · 1 Eintrag

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)

Toxikologische Informationen

Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.

Sicherheitsdaten

F
10
wgk
3
ridadr
UN 2660 6.1/PG 3
hs_code
29214300
risk_code
23/24/25-33-51/53
hazard_code
T,N,Xi
hazard_note
Toxic
safety_code
28-36/37-45-61-28A
hazard_class
IRRITANT
packing_group
Ⅲ
Speicherklasse
6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications
Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralAquatic Acute 1Aquatic Chronic 2STOT RE 2
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