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6-나이트로-o-톨루이딘

2-Methyl-6-nitroaniline

HCID 11298
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기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
570-24-1
표준 SMILES
Cc1cccc([N+](=O)[O-])c1N
InChIKey
FCMRHMPITHLLLA-UHFFFAOYSA-N
분자식
C7H8N2O2
평균 분자량
152.15 g/mol
단동위원소 질량
152.0585775

개요

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

이름 및 식별자

우선 이름
2-Methyl-6-nitroaniline
IUPAC
2-methyl-6-nitroaniline
현지명
6-나이트로-o-톨루이딘
영어명
2-Methyl-6-nitroaniline
분자식
C7H8N2O2
분자량
152.15

이름 및 동의어

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
이름 더 보기
6-나이트로-o-톨루이딘2-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-

데이터베이스 식별자

CAS
570-24-1、60999-18-0
PubChem CID
11298
DTXSID
DTXSID7025631
UNII
OUP165YKBC
EC Number
209-329-6
Nikkaji
J28.416E

물성

구조 계산 물성보충 중

XLogP
2
극성 표면적
71.8 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
0
무거운 원자 수
11
형식 전하
0
복잡도
155

실험 및 물리화학적 성질

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 · 2건

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]

물리화학적 성질

녹는점
93 · 93-96 °C (lit.)
끓는 점
124 °C · 124 °C / 1mmHg
밀도
1.19 g/cm3 · 1.19 g/cm3
굴절률
1.6276 · 1.6276 (estimate)

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 6건

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]

유해성 정보

Regulatory Information · 3건

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 · 1건

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.

화학 및 산업

용도 및 제조

Uses · 2건

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

Dressing Hair [Category: Other]

Use ClassificationCosmetics -> Hair dyeing

응용 분야

일반 설명Orange-yellow prisms or brown granular powder.

상·하류 제품 정보

상류 원료

2-Methylacetanilide2-아지도-3-니트로톨루엔o-옥살로톨루이다이드2-아미노톨루엔-5-술폰산황산2-메틸-4-니트로아세트아닐리드무수초산N-(2-메틸-6-니트로-페닐)-아세트아미드질산4-메틸-2-니트로아닐린

하류 제품

2,1,3-벤조티아디아졸-4-카르복실산

관련 반응

66건
반응 기록 만들기
HRID 49681 반응식
HRID 49681반응물로uspto-grants-2004_03
HRID 100060 반응식
HRID 100060생성물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 148846 반응식
HRID 148846반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 166449 반응식
HRID 166449반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 206161 반응식
HRID 206161반응물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 284940 반응식
HRID 284940반응물로Training data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 293600 반응식
HRID 293600반응물로Training data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 295774 반응식
HRID 295774반응물로Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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화합물 노트

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더보기
새 노트새 반응견적 요청하기
인화점
110 °C · 110 °C
저장 조건
Keep in dark place,Inert atmosphere,Room temperature
용해도
1 mg/L · <1mg/L
산도 계수 (pKa)
-0.44 · -0.44±0.25(Predicted)
물리적 상태
결정성 분말
색상
갈색을 띠는
수용성
23 · 23&C에서 <0.1g/100mL
BRN
1868029 · 1868029
Henry's Law Constant
4.6 · 4.6×101 mol/(m3Pa) at 25℃, Abraham and Jr. (2019)
화장품 원료 기능
머리 염색
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
NIST
2 · 2-Methyl-6-nitroaniline(570-24-1)
EPA
2 · 2-Methyl-6-nitroaniline (570-24-1)

화학적 성질

Redish-Brown Solid

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 · 2건

Acute Tox. 3 (100%)

Acute toxicity - category 3

안전 및 보호

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

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 · 1건

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) · 1건

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)

독성 정보

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.

안전 데이터

wgk
3
ridadr
UN 2660 6.1/PG 3
HS 번호
29214300
risk_code
23/24/25-33-51/53
hazard_code
T,N,Xi
safety_code
28-36/37-45-61-28A
포장분류
Ⅲ
위험 등급
IRRITANT
F 고인화성물질
10
위험 참고 사항
Toxic
Hazard Classifications
Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralAquatic Acute 1Aquatic Chronic 2STOT RE 2
스토리지 클래스
6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
2,1,3-벤조티아디아졸-4-일메탄올
4-(브로모메틸)-2,1,3-벤조티아디아졸
7-니트로인다졸
1H-인다졸-7-아민
2,1,3-벤조티아디아졸-4-카르발데히드
2-Bromo-3-nitrotoluene
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4-methyl-1H-benzotriazole
3-아미노-2-브로모-벤조산메틸에스테르
4-브로모-3-메틸벤젠-1,2-디아마인
5-브로모-7-니트로-1H-인다졸
메틸2-브로모-3-니트로벤조에이트