기본 정보
- CAS
65879-44-9- 표준 SMILES
Cc1cc(N)cc(N)c1O.Cl- InChIKey
KFKLSCXTXRXTCC-UHFFFAOYSA-N- 분자식
- C7H11ClN2O
- 평균 분자량
- 174.63 g/mol
- 단동위원소 질량
- 174.0559907
이름 및 식별자
- 우선 이름
- 2,4-Diamino-6-methylphenol hydrochloride
- IUPAC
- 2,4-diamino-6-methylphenol;hydrochloride
- 현지명
- 2,4-디아미노-6-메틸페놀염산염
- 영어명
- 2,4-diamino-6-methylphenol hydrochloride
- 분자식
- C7H11ClN2O
- 분자량
- 174.62804
이름 및 동의어
65879-44-92,4-DIAMINO-6-METHYLPHENOL HYDROCHLORIDEHSDB 62624,6-Diamino-o-cresol hydrochloride4,6-Diamino-2-methylphenol hydrochlorideEINECS 265-960-74,6-Diamino-2-methylphenol, hydrochlorideDTXSID50703654,6-DIAMINO-2-METHYLPHENOL HYDROCHLORIDE [HSDB]RefChem:822674,6Diaminoocresol hydrochlorideDTXCID3044673
이름 더 보기
2,4-디아미노-6-메틸페놀염산염2,4-Diamino-6-methylphenol/hydrochloric acid,(1:x)
4,6Diamino2methylphenol hydrochloride4,6Diamino2methylphenol, hydrochloridePhenol, 2,4diamino6methyl, hydrochlorideKFKLSCXTXRXTCC-UHFFFAOYSA-NNSC3155484,6-Diamino-o-cresol dihydrochlorideNS000556262,4-Diamino-6-methylphenol--hydrogen chloride (1/1)
데이터베이스 식별자
- CAS
65879-44-9、81028-94-6- PubChem CID
- 47741
- DTXSID
DTXSID5070365- EC Number
- 265-960-7
물성
구조 계산 물성
- 극성 표면적
- 72.3 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 118
실험 및 물리화학적 성질
Chemical ClassesNitrogen Compounds -> Amino Phenols
물리화학적 성질
- EPA
- 4 · 4,6-Diamino-o-cresol hydrochloride (65879-44-9)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Hazards SummaryEmergency treatment: Methemoglobinemia; [HSDB] See 2,4-Diamino-6-methylphenol.
독성 정보
Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect
Non-Human Toxicity Excerpts
THE IP ADMIN OF 4,6-DIAMINO-O-CRESOL (33 MG/KG) OR 4,6-DIAMINO-2-SEC-BUTYLPHENOL (43 MG/KG) PRODUCED A LETHAL METHEMOGLOBINEMIA WITHIN 15-20 MINUTES. THE INTRARUMINAL ADMIN INDUCED A LESS DRAMATIC METHEMOGLOBINEMIA. HEMOLYSIS & ACUTE NEPHROSIS WERE OBSERVED IN A PROLONGED EXPERIMENT. APPARENTLY, THE DIAMINOPHENOL METABOLITES ARE RESPONSIBLE FOR THE METHEMOGLOBIN FORMATION IN DINITROPHENOL (DNOC OR DNBP) POISONINGS.
2-METHYL-4,6-DINITROPHENOL SHOWED HIGHER TOXICITY TO SHEEP THAN 2-(1-METHYLPROPYL)-4,6-DINITROPHENOL FOLLOWING ORAL ADMIN (70 MG/KG); HOWEVER, DYSPNEA & HYPERTHERMIA WERE CAUSED BY THEIR RESPECTIVE DIAMINO METABOLITES, 2-METHYL-4,6-DIAMINOPHENOL & 2-(1-METHYLPROPYL)-4,6-DIAMINOPHENOL. THE METABOLITES ALSO CAUSED METHEMOGLOBINEMIA, HYPOTHERMIA, & HEMOCONCENTRATION.
안전 데이터
- tsca
- TSCA listed
- 유해 물질 데이터
- 65879-44-9(Hazardous Substances Data)
화학 및 산업
용도 및 제조
General Manufacturing InformationPhenol, 2,4-diamino-6-methyl-, hydrochloride (1:?): INACTIVE
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