5-클로로-1-페닐-1H-테트라졸
1H-Tetrazole, 5-chloro-1-phenyl-
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기본 정보
- CAS
14210-25-4- 표준 SMILES
Clc1nnnn1-c1ccccc1- InChIKey
DHELIGKVOGTMGF-UHFFFAOYSA-N- 분자식
- C7H5ClN4
- 평균 분자량
- 180.59 g/mol
- 단동위원소 질량
- 180.0202739
이름 및 식별자
- 우선 이름
- 1H-Tetrazole, 5-chloro-1-phenyl-
- IUPAC
- 5-chloro-1-phenyltetrazole
- 현지명
- 5-클로로-1-페닐-1H-테트라졸
- 영어명
- 5-Chloro-1-phenyl-1H-tetrazole
- 분자식
- C7H5ClN4
- 분자량
- 180.59
이름 및 동의어
5-Chloro-1-phenyl-1H-tetrazole5-Chloro-1-phenyltetrazole1H-Tetrazole, 5-chloro-1-phenyl-5-Chloro-1-phenyl-1H-tetrazolEINECS 238-065-4AI3-61645DTXSID9065730RefChem:79970DTXCID2034625238-065-4DHELIGKVOGTMGF-UHFFFAOYSA-N14210-25-4
이름 더 보기
5-클로로-1-페닐-1H-테트라졸RARECHEM AQ NN 0459Allisartan Isoproxil Impurity 475-Chloro-1-phenyl-1H-tetrazole >5-Chloro-1-phenyl-1H-tetrazole,97%5-Chloro-1-phenyl-1H-tetrazole, 98+%
5-Chloro-1-Phenyl-1H-1,2,3,4-TetrazoleMFCD000031285-chloro-1-phenyl-tetrazole5-Chloro-1-phenyl-1H-1,2,3,4-tetraazole1-phenyl-5-chlorotetrazole5-chloro-1-phenyl-1,2,3,4-tetraazole1-Phenyl-5-chlortetrazolN-phenyl-5-chlorotetrazole
데이터베이스 식별자
- CAS
14210-25-4- PubChem CID
- 84262
- DTXSID
DTXSID9065730- EC Number
- 238-065-4
- Nikkaji
- J269K
물성
구조 계산 물성보충 중
- XLogP
- 1.5
- 극성 표면적
- 43.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 148
물리화학적 성질
- 녹는점
- 120 · 120-123 °C (lit.)
- 끓는 점
- 297.55 °C · 297.55°C (rough estimate)
- 밀도
- 1.3947 · 1.3947 (rough estimate)
- 굴절률
- 1.611 · 1.6110 (estimate)
- 저장 조건
- 30 °C · Store below +30°C.
- 용해도
- 25 mg/mL, · 디클로로메탄: 용해성25mg/mL, 투명, 무색
- 산도 계수 (pKa)
- -0.27 · -0.27±0.10(Predicted)
- 물리적 상태
- solid
- BRN
- 139070 · 139070
- InChI
- 1S/C7H5ClN4/c8-7-9-10-11-12(7)6-4-2-1-3-5-6/h1-5H
- InChIKey
- DHELIGKVOGTMGF-UHFFFAOYSA-N
- SMILES
- Clc1nnnn1-c2ccccc2
- EPA
- 1 H-Tetrazole, · 1H-Tetrazole, 5-chloro-1-phenyl- (14210-25-4)
화학적 성질
light yellow to beige crystalline powder
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]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.
유해성 정보
Regulatory Information
Chemical: 1H-Tetrazole, 5-chloro-1-phenyl-
1H-Tetrazole, 5-chloro-1-phenyl-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (97.8%)
규제 정보
Regulatory Information
Chemical: 1H-Tetrazole, 5-chloro-1-phenyl-
1H-Tetrazole, 5-chloro-1-phenyl-: Does not have an individual approval but may be used under an appropriate group standard
화학 및 산업
용도 및 제조
General Manufacturing Information1H-Tetrazole, 5-chloro-1-phenyl-: INACTIVE
응용 분야
용도5-Chloro-1-phenyl-1H-tetrazole is used as a reactant in the preparation of biaryls via phosphine-catalyzed Suzuki-Miyaura coupling of aryl halides with arylboronic acids.
일반 설명5-Chloro-1-phenyl-1H-tetrazole reacts with 2-hydroxyacetophenone to yield 1-phenyl-1H-tetrazol-5-oxy linked compound.
상·하류 제품 정보
상류 원료
하류 제품
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