5-(3-브로모페닐)-1H-테트라졸

5-(3-bromophenyl)-1H-1,2,3,4-tetrazole

HCID 4073056CAS 3440-99-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Brc1cccc(-c2nn[nH]n2)c1
InChIKey: UVKPUDRFBHSFJH-UHFFFAOYSA-N
분자식: C7H5BrN4
평균 분자량: 225.05 g/mol
단동위원소 질량: 223.96975826

이름 및 식별자

우선 이름: 5-(3-bromophenyl)-1H-1,2,3,4-tetrazole
IUPAC: 5-(3-bromophenyl)-2H-tetrazole
현지명: 5-(3-브로모페닐)-1H-테트라졸
영어명: 5-(3-Bromophenyl)-1H-tetrazole
분자식: C7H5BrN4
분자량: 225.05

이름 및 동의어

5-(3-bromophenyl)-2H-tetrazole5-(3-bromophenyl)-1H-1,2,3,4-tetrazoleRefChem:529779608-985-45-(3-Bromophenyl)-1H-tetrazole3440-99-15-(3-BROMO-PHENYL)-2H-TETRAZOLEMFCD010756751H-Tetrazole, 5-(3-bromophenyl)-2H-TETRAZOLE, 5-(3-BROMOPHENYL)-5-(3-bromophenyl)tetrazole5-(3-bromophenyl)-tetrazole

이름 더 보기

5-(3-브로모페닐)-1H-테트라졸5-(3-BROMOPHENYL)-1H-TETRAZOLE(3-BPHT)JR-13643, 5-(3-Bromophenyl)-2H-tetrazole, 97%

SCHEMBL577441SCHEMBL702625CHEMBL488593SCHEMBL4258013SCHEMBL12479843DTXSID403990415-(3-bromophenyl)-1H-tetraazole5-(3-Bromo-phenyl)-1H-tetrazole

데이터베이스 식별자

CAS: 3440-99-1
PubChem CID: 4073056
DTXSID: DTXSID40399041
ChEMBL: CHEMBL488593
EC Number: 608-985-4
Nikkaji: J545.328C

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 54.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 154

물리화학적 성질

녹는점: 150 · 150-152°C
저장 조건: Inert atmosphere,Room Temperature
BRN: 141258 · 141258

안전 및 규제

GHS 분류

GHS Classification · 4건

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 6 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.