기본 정보
- 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
이름 더 보기
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 물성
- 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
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]
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)
- 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
안전 및 규제
GHS 분류
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]
유해성 정보
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Status: No longer Valid Update: 25-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24595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
안전 및 보호
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)
독성 정보
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
화학 및 산업
용도 및 제조
Uses
Used in semi-permanent hair dyes; [EC: SCCNFP]
Dressing Hair [Category: Other]
응용 분야
일반 설명Orange-yellow prisms or brown granular powder.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
관련 반응
연결된 노트
불러오는 중…