6-아미노-m-크레솔
2-Amino-5-methylphenol
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기본 정보
- CAS
2835-98-5- 표준 SMILES
Cc1ccc(N)c(O)c1- InChIKey
HCPJEHJGFKWRFM-UHFFFAOYSA-N- 분자식
- C7H9NO
- 평균 분자량
- 123.15 g/mol
- 단동위원소 질량
- 123.06841391
이름 및 식별자
- 우선 이름
- 2-Amino-5-methylphenol
- IUPAC
- 2-amino-5-methylphenol
- 현지명
- 6-아미노-m-크레솔
- 영어명
- 6-Amino-m-cresol
- 분자식
- C7H9NO
- 분자량
- 123.15
이름 및 동의어
2-Amino-5-methylphenol6-Amino-m-cresol2835-98-52-Hydroxy-4-methylanilinePhenol, 2-amino-5-methyl-4-Amino-3-hydroxytolueneQCG4ES2A26NSC-322874DTXSID20182594RefChem:85284DTXCID60105085220-620-7
이름 더 보기
6-아미노-m-크레솔JAROCOL 2M5AP6-amino-meta-cresol6-Amino-m-cresol,98%6-Amino-m-cresol >m-Hydroxy-p-toluidine6-Amino-m-methylphenol
Cetilistat Impurity 46-Amino-3-methylphenol6-AMINO-3-CRESOLMFCD000076935-methyl-2-aminophenolEINECS 220-620-7UNII-QCG4ES2A26NSC 322874
데이터베이스 식별자
- CAS
2835-98-5- PubChem CID
- 76082
- DTXSID
DTXSID20182594- UNII
- QCG4ES2A26
- EC Number
- 220-620-7
- Nikkaji
- J13.777D
물성
구조 계산 물성보충 중
- 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
실험 및 물리화학적 성질
Kovats Retention Index1634
물리화학적 성질
- 녹는점
- 160 · 160-162 °C(lit.)
- 끓는 점
- 229.26 °C · 229.26°C (rough estimate)
- 밀도
- 1.0877 · 1.0877 (rough estimate)
- 굴절률
- 1.538 · 1.5380 (estimate)
- 저장 조건
- Keep in dark place,Sealed in dry,Room Temperature
- 용해도
- DMSO(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 9.87 · 9.87±0.10(Predicted)
- 색상
- 베이지부터 다크 베이지까지
- 수용성
- 녹는
- BRN
- 386144 · 386144
- 안정성
- 흡습성
- 화장품 원료 기능
- 머리 염색
- InChI
- 1S/C7H9NO/c1-5-2-3-6(8)7(9)4-5/h2-4,9H,8H2,1H3
- InChIKey
- HCPJEHJGFKWRFM-UHFFFAOYSA-N
- SMILES
- Cc1ccc(N)c(O)c1
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (62.4%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (89.9%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (42.2%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (89.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (89%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 109 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Regulatory Information
Chemical: Phenol, 2-amino-5-methyl-
Phenol, 2-amino-5-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Phenol, 2-amino-5-methyl-: Human health tier II assessment
Hazard Classes and Categories
Acute Tox. 4 (62.4%)；Skin Irrit. 2 (89.9%)；Skin Sens. 1 (42.2%)；Eye Irrit. 2A (89.9%)；STOT SE 3 (89%)
Acute toxicity (ingestion) - category 4；Germ cell mutagenicity - category 2；Skin sensitisation - category 1A
독성 정보
화학 및 산업
용도 및 제조
UsesCIR ingredient: 6-Amino-m-Cresol
Use ClassificationCosmetics -> Hair dyeing
응용 분야
용도2-Amino-5-methylphenol was used in the synthesis of tridentate Schiff base ligand and novel non-metallocene catalysts with phenoxy-imine ligands.
일반 설명2-Amino-5-methylphenol reacts with bovine hemoglobin to form 2-amino-4,4α-dihydro-4α-7-dimethyl-3H-phenoxazine-3-one, which inhibits the proliferation of Poliovirus in Vero cells. It is converted to dihydrophenoxazinone by purified human hemoglobin.
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