기본 정보
- CAS
2616-72-0- 표준 SMILES
Cc1cc(Cl)ccc1NC(=O)c1cc2ccccc2cc1OP(=O)(O)O- InChIKey
SHTFMUPUBYXPCD-UHFFFAOYSA-N- 분자식
- C18H15ClNO5P
- 평균 분자량
- 391.7 g/mol
- 단동위원소 질량
- 391.0376373
이름 및 식별자
- 우선 이름
- N-(4-chloro-2-methylphenyl)-3-(phosphonooxy)naphthalene-2-carboxamide
- IUPAC
- [3-[(4-chloro-2-methylphenyl)carbamoyl]naphthalen-2-yl] dihydrogen phosphate
- 영어명
- NAPHTHOL AS-TR PHOSPHATE
- 분자식
- C18H15ClNO5P
- 분자량
- 391.74
이름 및 동의어
2616-72-0N-(4-Chloro-2-methylphenyl)-3-(phosphonooxy)naphthalene-2-carboxamideEINECS 220-046-7N-(4-Chloro-2-methylphenyl)-3-(phosphonooxy)-2-naphthalenecarboxamideDTXSID10180781Naphthol ASTR phosphateRefChem:827376DTXCID50103272220-046-7Naphthol AS-TR phosphate3-((4-Chloro-2-methylphenyl)carbamoyl)naphthalen-2-yl dihydrogen phosphateNASTRp
이름 더 보기
Naphthol AS-TR Phosphate Naphthol AS-TR phosphate?SALENAPHTHOL-AS-TR-PHOSPHATE extrapureNAPHTHOL AS-TR PHOSPHATE FREE ACIDNAPHTHOL AS-TR-PHOSPHATE, FOR HISTOLOGYNaphthol AS-TR Phosphate,naphthol freeNAPHTHOL AS-TR PHOSPHATE FREE ACID NAPHTHOL FREE
2-Naphthalenecarboxamide, N-(4-chloro-2-methylphenyl)-3-(phosphonooxy)-MFCD00042716[3-[(4-chloro-2-methylphenyl)carbamoyl]naphthalen-2-yl] dihydrogen phosphate({3-[(4-chloro-2-methylphenyl)carbamoyl]naphthalen-2-yl}oxy)phosphonic acidNaphthol AS-TR phosphate [for biochemical research]C18H15ClNO5P3-[(4-Chloro-2-methylphenyl)carbamoyl]naphthalen-2-yl dihydrogen phosphatenaphthol-as-tr-phosphate
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 95.9 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 556
실험 및 물리화학적 성질
PolymersNitrogen Compounds -> Amines, Polyaromatic
Physical DescriptionLight yellow powder; [Sigma-Aldrich MSDS]
물리화학적 성질
- 밀도
- 1.522 · 1.522±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 물리적 상태
- powder to crystal
- 산도 계수 (pKa)
- 1.04 · 1.04±0.30(Predicted)
- 색상
- White to Light yellow to Dark green
- BRN
- 6666070 · 6666070
- InChI
- InChI=1S/C18H15ClNO5P/c1-11-8-14(19)6-7-16(11)20-18(21)15-9-12-4-2-3-5-13(12)10-17(15)25-26(22,23)24/h2-10H,1H3,(H,20,21)(H2,22,23,24)
- InChIKey
- SHTFMUPUBYXPCD-UHFFFAOYSA-N
- SMILES
- C1=C2C(C=CC=C2)=CC(OP(O)(O)=O)=C1C(NC1=CC=C(Cl)C=C1C)=O
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazards SummaryAn irritant; [Sigma-Aldrich MSDS] See 4-Chloro-2-toluidine. See 2-Naphthol.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- HS 번호
- 2919.90.3000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- F 고인화성물질
- 8-10-21
화학 및 산업
응용 분야
용도Naphthol AS-TR Phosphate is a novel composition useful for treating cancer.
공급사41 곳
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海康朗生物科技有限公司021-61998208 18217752821 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海如吉生物科技发展有限公司+86-21-65211385-8001 36031160 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
上海弘顺生物科技有限公司15901914505 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）
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