1H-Tetrazole, 5-chloro-1-phenyl- (HCID 84262)

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 물성

XLogP: 1.5
극성 표면적: 43.6 Å²
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

GHS 분류

GHS Classification · 5건

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 · 2건

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 · 2건

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

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 1325 4.1/PG 2
HS 번호: 29339990
risk_code: 11-36/37/38
hazard_code: F,Xi
safety_code: 16-26-36
포장분류: III
위험 등급: 4.1
스토리지 클래스: 13 - Non Combustible Solids

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.