기본 정보
- 표준 SMILES
CC(C)(NC(=O)NCc1ccccc1Cl)c1ccccc1- InChIKey
VYNOULHXXDFBLU-UHFFFAOYSA-N- 분자식
- C17H19ClN2O
- 평균 분자량
- 302.8 g/mol
- 단동위원소 질량
- 302.1185909
이름 및 식별자
- 우선 이름
- Cumyluron
- IUPAC
- 1-[(2-chlorophenyl)methyl]-3-(2-phenylpropan-2-yl)urea
- 현지명
- 1-(2-클로로벤질)-3-(1-메틸-1-페닐에틸)우레아 [쿠밀루론]
- 영어명
- CUMYLURON
- 분자식
- C17H19ClN2O
- 분자량
- 302.8
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
99485-76-4- PubChem CID
- 11709249
- DTXSID
DTXSID7052862- ChEBI
CHEBI:81738- UNII
- 82H75W2NPD
- EC Number
- 619-438-4
- Nikkaji
- J1.535.292B
물성
구조 계산 물성
- XLogP
- 3.6
- 극성 표면적
- 41.1 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 340
물리화학적 성질
- 녹는점
- 167.9 ℃165~170℃approximate · 167.9℃165~170℃approximate 173℃
- 끓는 점
- 503 · 503.0±43.0 °C(Predicted)
- 밀도
- 1.164 · 1.164
- 저장 조건
- 0 · 0-6°C
- 산도 계수 (pKa)
- 13.33 · 13.33±0.46(Predicted)
- Henry's Law Constant
- 2.5 · 2.5×106 mol/(m3Pa) at 25℃, Ebert et al. (2023)
- EPA
- Urea, N-[(2-chlorophenyl)methyl]-N'-(1-methyl-1-phenylethyl)- (99485-76-4)
안전 및 규제
GHS 분류
GHS Classification
H412 (97.5%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.;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.
Danger
H302: Harmful if swallowed [Warning Acute toxicity, oral];H320: Causes eye irritation [Warning Serious eye damage/eye irritation];H372: Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure];H373: May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
유해성 정보
Hazard Classes and Categories
Aquatic Chronic 3 (97.5%)
Acute toxicity (Oral) - Category 4;Serious eye damage/eye irritation - Category 2B;Specific target organ toxicity - Repeated exposure - Category 1 (liver), Category 2 (blood system, kidney)
안전 데이터
- risk_code
- 52/53
- safety_code
- 61
화학 및 산업
공급사27 곳
관련 반응
연결된 노트
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