HRID 1317201촉매로High-throughput exploration of 50,688 Pd-, Ni- and Cu-catalysed C–N coupling reactions
기본 정보
- CAS
5394-23-0- 표준 SMILES
Clc1ccnc2c1ccc1c(Cl)ccnc12- InChIKey
GIEQBYJCGYHHSU-UHFFFAOYSA-N- 분자식
- C12H6Cl2N2
- 평균 분자량
- 249.09 g/mol
- 단동위원소 질량
- 247.99080355
이름 및 식별자
- 우선 이름
- 4,7-Dichloro-1,10-phenanthroline
- IUPAC
- 4,7-dichloro-1,10-phenanthroline
- 현지명
- 4,7-디클로로-1,10-페난트롤린
- 영어명
- 4,7-Dichloro-1,10-phenanthroline
- 분자식
- C12H6Cl2N2
- 분자량
- 249.1
이름 및 동의어
4,7-Dichloro-1,10-phenanthroline5394-23-0RefChem:508223693-961-6MFCD00233882NSC6261,10-Phenanthroline, 4,7-dichloro-1,10-Phenanthroline,4,7-dichloroNSC-626AKOS016845061CS-W004582DS-7192
이름 더 보기
4,7-디클로로-1,10-페난트롤린4,7-Dichloro-o-phenanthroline4,7-Dichloro-1,10-phenthroline4,7-Dichloro-1,1-phenanthroline4,7-Dichloro-1,10-phenanthroline 97%4,7-Dichloro-1,10-phenanthroline Hydrate4,7-Dichloro-1,10-phenanthroline Hydrate >
4,7-Dichloro-1,10-phenanthroline, 97%D4421D5690EN300-154354Y10770NSC 6264,7-DichloroFT-0711697
데이터베이스 식별자
- CAS
5394-23-0- PubChem CID
- 219391
- DTXSID
DTXSID00202229- EC Number
- 693-961-6
- Nikkaji
- J876.732G
물성
구조 계산 물성
- XLogP
- 3.7
- 극성 표면적
- 25.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 235
물리화학적 성질
- 녹는점
- 243 · 243-247 °C
- 끓는 점
- 395.9 · 395.9±37.0 °C(Predicted)
- 밀도
- 1.482 · 1.482±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- 산도 계수 (pKa)
- 3.29 · 3.29±0.10(Predicted)
- 물리적 상태
- 고체
- 색상
- 흰색에서 황갈색까지
- InChI
- InChI=1S/C12H6Cl2N2/c13-9-3-5-15-11-7(9)1-2-8-10(14)4-6-16-12(8)11/h1-6H
- InChIKey
- GIEQBYJCGYHHSU-UHFFFAOYSA-N
- SMILES
- N1C2C(=CC=C3C=2N=CC=C3Cl)C(Cl)=CC=1
안전 및 규제
GHS 분류
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 3 (100%)
안전 데이터
- wgk
- 3
- tsca
- No
- ridadr
- UN 2811 6.1/PG 3
- HS 번호
- 29339900
- risk_code
- 22-37/38-41
- hazard_code
- Xn
- safety_code
- 26-39
- 위험 등급
- 6.1
- Hazard Classifications
- Acute Tox. 3 OralEye Dam. 1Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
화학 및 산업
상·하류 제품 정보
하류 제품
공급사100 곳
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
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上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
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BAYNOE CHEM CO.,LTD+86-21-34783353 +8615000719740 · [email protected]
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Syntechem Co.,Ltd[email protected]
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北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
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TCI AMERICA800-4238616 · [email protected]
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TCI Europe320-37350700 · [email protected]
成都麦卡希化工有限公司028-85632863 18108198598 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
苏州亚科科技股份有限公司0512-87182055 13451648594 · [email protected]
上海将来实业股份有限公司021-61552785 · [email protected]
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上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
上海笛柏生物科技有限公司400-008-9730,021-54359730 400-008-9730 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
上海石洋化工有限公司021-56795766 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
上海毓川医药科技有限公司02161555100
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池州凯隆进出口贸易有限公司[email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
旷博科技(天津)有限公司0-16600677255-0 18602647921 · [email protected]
苏州新凯生物医药技术有限公司0512-67213637 13952409868 · [email protected]
上海谱振生物科技有限公司4001650900 13817534909 · [email protected]
관련 반응
556건
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