5-(4'-(Bromomethyl)(1,1'-biphenyl)-2-yl)-1-trityl-1H-tetraazole

HCID 10053461

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 124750-51-2
표준 SMILES: BrCc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIKey: ZTFVTXDWDFIQEU-UHFFFAOYSA-N
분자식: C33H25BrN4
평균 분자량: 557.5 g/mol
단동위원소 질량: 556.1262589

이름 및 식별자

우선 이름: 5-(4'-(Bromomethyl)(1,1'-biphenyl)-2-yl)-1-trityl-1H-tetraazole
IUPAC: 5-[2-[4-(bromomethyl)phenyl]phenyl]-1-trityltetrazole
영어명: 5-(4'-Bromomethyl-1,1'-biphenyl-2-yl)-1-triphenylmethyl-1H-tetrazole
분자식: C33H25BrN4
분자량: 557.48

이름 및 동의어

5-(4'-(Bromomethyl)(1,1'-biphenyl)-2-yl)-1-trityl-1h-tetraazoleEC 603-010-95-[4'-(bromomethyl)[1,1'-biphenyl]-2-yl]-1-(triphenylmethyl)-1H-tetrazole5-(4'-(bromomethyl)biphenyl-2-yl)-1-trityl-1h-tetrazole5-[4'-(bromomethyl)[1,1'-biphenyl]-2-yl]-1-trityl-1H-tetraazole5-(4'-(Bromomethyl)(1,1'-biphenyl)-2-yl)-1-(triphenylmethyl)-1H-tetrazoleRefChem:530026103-413-5603-010-9124750-51-25-(4'-Bromomethyl-1,1'-biphenyl-2-yl)-1-triphenylmethyl-1H-tetrazole5-(4'-(Bromomethyl)-[1,1'-biphenyl]-2-yl)-1-trityl-1H-tetrazole

이름 더 보기

5-(4-(2-bromoethyl)-[1,1'-biphenyl]-2-yl)-1-trityl-1H-tetrazoleLosaint-B5-（4´ALSTint-A04Valsartan IMPValsartan ImpurityValsartan Impurity 8Valsartan Impurity 9TRITYLATED BROMO IMP

N-(Triphenylmethyl)-5-(4-bromomethylbiphenyl-2-yl)tetrazoleMFCD006652215-[4-(Bromomethyl)-1,1-Biphenyl-2-yl]-1-Triphenylmethyl-1H-TetrazoleC33H25BrN4N-(Triphenylmethyl)-5-(4'-bromomethylbiphenyl-2-yl-)tetrazole5-[2-[4-(bromomethyl)phenyl]phenyl]-1-trityltetrazole5-(4'-(Bromomethyl)(1,1'-biphenyl)-2-yl)-1-trityl-1H-tetrazole5-(4'-Bromomethylbiphenyl-2-yl)-1-trityl-1H-tetrazole

데이터베이스 식별자

CAS: 124750-51-2
PubChem CID: 10053461
DTXSID: DTXSID80434768
UNII: TAK79Y6NVP
EC Number: 103-413-5、603-010-9
Nikkaji: J1.204.303A

물성

구조 계산 물성

XLogP: 8.2
극성 표면적: 43.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 7
무거운 원자 수: 38
형식 전하: 0
복잡도: 660

물리화학적 성질

녹는점: 152 · 152-155°C
끓는 점: 61 °C/12mmHg · 61°C/12mmHg(lit.)
밀도: 1.28 · 1.28±0.1 g/cm3(Predicted)
저장 조건: 2 · Inert atmosphere,2-8°C
용해도: Soluble in Chloroform and Methanol (Sparingly)
물리적 상태: Solid
산도 계수 (pKa): 0.29 · 0.29±0.10(Predicted)
색상: White
안정성: 수분에 민감한
InChI: InChI=1S/C33H25BrN4/c34-24-25-20-22-26(23-21-25)30-18-10-11-19-31(30)32-35-36-37-38(32)33(27-12-4-1-5-13-27,28-14-6-2-7-15-28)29-16-8-3-9-17-29/h1-23H,24H2
InChIKey: ZTFVTXDWDFIQEU-UHFFFAOYSA-N
SMILES: N1(C(C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C(C2=CC=CC=C2C2=CC=C(CBr)C=C2)=NN=N1

화학적 성질

Off-White Solid

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 2.2% (1 of 46) of reports.

Danger

H301 (97.8%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger