2-아미노-3-나이트로페놀

2-Amino-3-Nitrophenol

HCID 4115495CAS 603-85-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Nc1c(O)cccc1[N+](=O)[O-]
InChIKey: KUCWUAFNGCMZDB-UHFFFAOYSA-N
분자식: C6H6N2O3
평균 분자량: 154.12 g/mol
단동위원소 질량: 154.03784205

이름 및 식별자

우선 이름: 2-Amino-3-Nitrophenol
IUPAC: 2-amino-3-nitrophenol
현지명: 2-아미노-3-나이트로페놀
영어명: 2-Amino-3-nitrophenol
분자식: C6H6N2O3
분자량: 154.12

이름 및 동의어

2-Amino-3-nitrophenol603-85-0Phenol, 2-amino-3-nitro-2-Hydroxy-6-nitroaniline3-Nitro-2-aminophenol2-Amino-3-hydroxynitrobenzeneCCRIS 2544EINECS 210-060-11-Hydroxy-2-amino-3-nitrobenzeneUNII-A7F97ZPU2WA7F97ZPU2WIMEXINE FO

이름 더 보기

2-아미노-3-나이트로페놀2-아미노-3-나이트로페놀및그염류2-Amino-3-nitrophenol >2-Amino-3-nitrophenol,98%2-Amino-3-nitrophenol 98%2-AMino-3-nitrophenol, 98% 5GR2-AMINO-3-NITROPHENOL OEKANAL, 250 MG

KUCWUAFNGCMZDB-UHFFFAOYSA-DTXSID70209063NITRO-2-AMINOPHENOL, 3-2-AMINO-3-NITROPHENOL [INCI]RefChem:85143DTXCID90131554210-060-1InChI=1/C6H6N2O3/c7-6-4(8(10)11)2-1-3-5(6)9/h1-3,9H,7H2

데이터베이스 식별자

CAS: 603-85-0
PubChem CID: 4115495
DTXSID: DTXSID70209063
UNII: A7F97ZPU2W
EC Number: 210-060-1
Nikkaji: J96.209K

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 92.1 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 156

실험 및 물리화학적 성질

Cosmetics · 2건

Cosmetic ingredients (2-Amino-3-Nitrophenol) -> CIR (Cosmetic Ingredient Review)

Hair dyeing

물리화학적 성질

녹는점: 212 · 212-213 °C (lit.)
끓는 점: 322.46 °C · 322.46°C (rough estimate)
밀도: 1.3617 · 1.3617 (estimate)
굴절률: 1.689 · 1.6890 (rough estimate)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
산도 계수 (pKa): 11.23 · 11.23±0.25(Predicted)
물리적 상태: 가루
색상: 갈색-빨간색
BRN: 2804307 · 2804307
화장품 원료 기능: 머리 염색
InChI: InChI=1S/C6H6N2O3/c7-6-4(8(10)11)2-1-3-5(6)9/h1-3,9H,7H2
InChIKey: KUCWUAFNGCMZDB-UHFFFAOYSA-N
SMILES: C1(O)=CC=CC([N+]([O-])=O)=C1N

화학적 성질

Red-brown powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (13%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationChemical: Phenol, 2-amino-3-nitro-

Other Safety InformationIMAP assessments - Phenol, 2-amino-3-nitro-: Human health tier II assessment

Hazard Classes and CategoriesAcute Tox. 4 (13%)

독성 정보

Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org

안전 데이터

wgk: 3
HS 번호: 29222990
risk_code: 36/37/38-20/21/22
hazard_code: Xi,Xn
safety_code: 26-36
위험 참고 사항: Irritant
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

Uses · 2건

CIR ingredient: 2-Amino-3-Nitrophenol

Synthetic Polymer MALDI Matrix Compounds

Use ClassificationCosmetics -> Hair dyeing

응용 분야 · 1건

용도2-Amino-3-nitrophenol has been used:as semipermanent (nonoxidative) hair colorant and as toner in permanent (oxidative) hair dye productsas matrix during visible matrix-assisted laser desorption/ionization (VIS-MALDI) mass spectrometryin preparation of 1,3-benzoxazole-4,7-dione