기본 정보
- CAS
59487-23-9- 표준 SMILES
COc1cc(OC)c(NC(=O)c2cc3ccccc3c(N=Nc3cc(C(=O)Nc4ccc(C(N)=O)cc4)ccc3OC)c2O)cc1Cl- InChIKey
DZYFEMTUCDZMSP-UHFFFAOYSA-N- 분자식
- C34H28ClN5O7
- 평균 분자량
- 654.1 g/mol
- 단동위원소 질량
- 653.1677259
이름 및 식별자
- 우선 이름
- 2-Naphthalenecarboxamide, 4-((5-(((4-(aminocarbonyl)phenyl)amino)carbonyl)-2-methoxyphenyl)azo)-N-(5-chloro-2,4-dimethoxyphenyl)-3-hydroxy-
- IUPAC
- 4-[[5-[(4-carbamoylphenyl)carbamoyl]-2-methoxyphenyl]diazenyl]-N-(5-chloro-2,4-dimethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide
- 현지명
- C.I. 염료 레드 187
- 영어명
- 4-[[5-[[[4-(aminocarbonyl)phenyl]amino]carbonyl]-2-methoxyphenyl]azo]-N-(5-chloro-2,4-dimethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide
- 분자식
- C34H28ClN5O7
- 분자량
- 654.07
이름 및 동의어
4-[[5-[[[4-(aminocarbonyl)phenyl]amino]carbonyl]-2-methoxyphenyl]azo]-N-(5-chloro-2,4-dimethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide2-Naphthalenecarboxamide, 4-((5-(((4-(aminocarbonyl)phenyl)amino)carbonyl)-2-methoxyphenyl)azo)-N-(5-chloro-2,4-dimethoxyphenyl)-3-hydroxy-2-Naphthalenecarboxamide, 4-(2-(5-(((4-(aminocarbonyl)phenyl)amino)carbonyl)-2-methoxyphenyl)diazenyl)-N-(5-chloro-2,4-dimethoxyphenyl)-3-hydroxy-4-((5-(((4-(Aminocarbonyl)phenyl)amino)carbonyl)-2-methoxyphenyl)azo)-N-(5-chloro-2,4-dimethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide2-Naphthalenecarboxamide, 4-[[5-[[[4-(aminocarbonyl)phenyl]amino]carbonyl]-2-methoxyphenyl]azo]-N-(5-chloro-2,4-dimethoxyphenyl)-3-hydroxy-2-Naphthalenecarboxamide, 4-[2-[5-[[[4-(aminocarbonyl)phenyl]amino]carbonyl]-2-methoxyphenyl]diazenyl]-N-(5-chloro-2,4-dimethoxyphenyl)-3-hydroxy-RefChem:4764522-Naphthalenecarboxamide, 4-5-4-(aminocarbonyl)phenylaminocarbonyl-2-methoxyphenylazo-N-(5-chloro-2,4-dimethoxyphenyl)-3-hydroxy-
물성
구조 계산 물성
- XLogP
- 6.2
- 극성 표면적
- 174 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 47
- 형식 전하
- 0
- 복잡도
- 1,110
실험 및 물리화학적 성질
Endocrine DisruptorsPotential endocrine disrupting compound
Food Contact Substances
FCS -> FDA Cumulative Estimated Daily Intake (CEDI)
FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
물리화학적 성질
- 끓는 점
- 803.3 · 803.3±65.0 °C(Predicted)
- 밀도
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- 용해도
- 22.1 μg/L · 22.1μg/L in organic solvents at 20 ℃
- 산도 계수 (pKa)
- 10.13 · 10.13±0.70(Predicted)
- 수용성
- 8.9 μg/L · 8.9μg/L at 23℃
- LogP
- 0.4 at · 0.4 at 23℃
- EPA
- 187 · C.I. Pigment Red 187 (59487-23-9)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 59.3% (16 of 27) of all reports.
Warning
H335 (40.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P271, P304+P340, P319, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 27 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: 2-Naphthalenecarboxamide, 4-[[5-[[[4-(aminocarbonyl)phenyl]amino]carbonyl]-2-methoxyphenyl]azo]-N-(5-chloro-2,4-dimethoxyphenyl)-3-hydroxy-
Hazard Traits - Bioaccumulation; Environmental Persistence
REACH registered substance: 4-[[5-[[[4-(aminocarbonyl)phenyl]amino]carbonyl]-2-methoxyphenyl]azo]-N-(5-chloro-2,4-dimethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide (EC: 261-785-5)
2-Naphthalenecarboxamide, 4-5-4-(aminocarbonyl)phenylaminocarbonyl-2-methoxyphenylazo-N-(5-chloro-2,4-dimethoxyphenyl)-3-hydroxy-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 2-Naphthalenecarboxamide, 4-[[5-[[[4-(aminocarbonyl)phenyl]amino]carbonyl]-2-methoxyphenyl]azo]-N-(5-chloro-2,4-dimethoxyphenyl)-3-hydroxy-: Human health tier I assessment
Hazard Classes and CategoriesSTOT SE 3 (40.7%)
안전 데이터
- tsca
- TSCA listed
- 기존화학 물질
- KE-07974
화학 및 산업
용도 및 제조
General Manufacturing Information2-Naphthalenecarboxamide, 4-[2-[5-[[[4-(aminocarbonyl)phenyl]amino]carbonyl]-2-methoxyphenyl]diazenyl]-N-(5-chloro-2,4-dimethoxyphenyl)-3-hydroxy-: ACTIVE
공급사4 곳
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
武汉裕清嘉衡药业有限公司027-83855310 13476018176 · [email protected]
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