기본 정보
- 표준 SMILES
Cc1ccc(O)c(N)c1- InChIKey
ZMXYNJXDULEQCK-UHFFFAOYSA-N- 분자식
- C7H9NO
- 평균 분자량
- 123.15 g/mol
- 단동위원소 질량
- 123.06841391
개요
2-amino-4-methylphenol is a brown powder. (NTP, 1992)
이름 및 식별자
- 우선 이름
- 2-Amino-4-methylphenol
- IUPAC
- 2-amino-4-methylphenol
- 현지명
- 2-아미노-4-메틸페놀
- 영어명
- 2-Amino-p-cresol
- 분자식
- C7H9NO
- 분자량
- 123.15
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
95-84-1- PubChem CID
- 7264
- DTXSID
DTXSID4024488- ChEMBL
CHEMBL224282- ChEBI
CHEBI:39713- UNII
- 9ZV2574SER
- EC Number
- 202-457-3
- Nikkaji
- J95.381D
물성
구조 계산 물성
- XLogP
- 1.2
- 극성 표면적
- 46.3 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 94.9
실험 및 물리화학적 성질
Physical Description
2-amino-4-methylphenol is a brown powder. (NTP, 1992)
Brown solid; [CAMEO] Dark brown crystalline solid; [Sigma-Aldrich MSDS]
물리화학적 성질
- 녹는점
- 133 · 133-136 °C(lit.)
- 끓는 점
- 229.26 °C · 229.26°C (rough estimate)
- 밀도
- 1.0877 · 1.0877 (rough estimate)
- 굴절률
- 1.5706 · 1.5706 (estimate)
- 저장 조건
- Keep in dark place,Inert atmosphere,Room temperature
- 용해도
- 물에 약간 용해됨
- 산도 계수 (pKa)
- 10.06 · 10.06±0.18(Predicted)
- 물리적 상태
- 플레이크 또는 결정성 분말
- 색상
- 베이지~회갈색
- 수용성
- 약간 용해됨
- BRN
- 606494 · 606494
- InChI
- InChI=1S/C7H9NO/c1-5-2-3-7(9)6(8)4-5/h2-4,9H,8H2,1H3
- InChIKey
- ZMXYNJXDULEQCK-UHFFFAOYSA-N
- SMILES
- C1(O)=CC=C(C)C=C1N
- EPA
- 2 · 2-Amino-p-cresol (95-84-1)
화학적 성질
White crystal powder
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 1.5% (1 of 65) of reports.
Warning
H302 (20%): 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 65 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Status: Active Update: 20-02-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/20332
Phenol, 2-amino-4-methyl-: Does not have an individual approval but may be used under an appropriate group standard
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: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol 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)
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- SJ6078000
- HS 번호
- 29222900
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- 기존화학 물질
- KE-01464
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
응용 분야
용도2-Amino-4-methylphenol was used in the synthesis of novel functionalized spiropyran derivatives of 2H-1,3-benzoxazinone series.
일반 설명Brown powder.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
관련 반응
연결된 노트
불러오는 중…