기본 정보
- 표준 SMILES
Cc1cc(Cl)c(O)c(Cl)c1- InChIKey
YXEOEPYIBGTLML-UHFFFAOYSA-N- 분자식
- C7H6Cl2O
- 평균 분자량
- 177.02 g/mol
- 단동위원소 질량
- 175.97957017
이름 및 식별자
- 우선 이름
- 2,6-Dichloro-4-methylphenol
- IUPAC
- 2,6-dichloro-4-methylphenol
- 영어명
- 2,6-Dichloro-4-methylphenol
- 분자식
- C7H6Cl2O
- 분자량
- 177.03
이름 및 동의어
2,6-Dichloro-4-methylphenol2,6-Dichloro-p-cresolPhenol, 2,6-dichloro-4-methyl-4-METHYL-2,6-DICHLOROPHENOLp-Cresol, 2,6-dichloro-MIP3UF5E7VNSC 407750UNII-MIP3UF5E7VNSC-407750DTXSID1062415YXEOEPYIBGTLML-UHFFFAOYSA-EINECS 219-402-4
이름 더 보기
0/4/322,6-DichlorocresolPropofol Impurity 462,6-Dichloro-p-cresol>2,6-DICHLORO-P-CRESOL 96+%2,6-Dichloro-p-methylphenol2,6-dichloro-4-methyl-pheno
AI3-24009RefChem:83170DTXCID2037059p-Cresol, 2,6-dichloro-(8CI)InChI=1/C7H6Cl2O/c1-4-2-5(8)7(10)6(9)3-4/h2-3,10H,1H3YXEOEPYIBGTLML-UHFFFAOYSA-N2432-12-4MFCD00134679
데이터베이스 식별자
- CAS
2432-12-4- PubChem CID
- 17077
- DTXSID
DTXSID1062415- UNII
- MIP3UF5E7V
- EC Number
- 219-402-4
- Nikkaji
- J28.703B
물성
구조 계산 물성
- XLogP
- 3.2
- 극성 표면적
- 20.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 106
실험 및 물리화학적 성질
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
물리화학적 성질
- 녹는점
- 39 °C · 39°C
- 끓는 점
- 251.88 °C · 251.88°C (rough estimate)
- 밀도
- 1.297 · 1.2970 (rough estimate)
- 굴절률
- 1.5625 · 1.5625 (estimate)
- 인화점
- 34 °C · 34 °C
- 저장 조건
- 2 · 2-8°C
- 물리적 상태
- powder to lump
- 산도 계수 (pKa)
- 7.34 · 7.34±0.23(Predicted)
- 색상
- 흰색에서 거의 흰색
- 수용성
- 283.3 mg/L · 283.3mg/L(25℃)
- EPA
- 2 · 2,6-Dichloro-4-methylphenol (2432-12-4)
안전 및 규제
GHS 분류
GHS Classification
Danger
H302 (93%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationCommission Regulation No 844/2012
Hazard Classes and CategoriesAcute Tox. 4 (93%)
안전 데이터
- tsca
- TSCA listed
- HS 번호
- 2908190090
- risk_code
- 20/21/22
- safety_code
- 26-36/37/39
- 기존화학 물질
- KE-10101
화학 및 산업
용도 및 제조
Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
General Manufacturing InformationPhenol, 2,6-dichloro-4-methyl-: INACTIVE
상·하류 제품 정보
하류 제품
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