3-브로모-5-니트로벤질알코올

(3-Bromo-5-nitrophenyl)methanol

HCID 14866972CAS 139194-79-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=[N+]([O-])c1cc(Br)cc(CO)c1
InChIKey: WIXGOPRKQQGTHO-UHFFFAOYSA-N
분자식: C7H6BrNO3
평균 분자량: 232.03 g/mol
단동위원소 질량: 230.95311

이름 및 식별자

우선 이름: (3-Bromo-5-nitrophenyl)methanol
IUPAC: (3-bromo-5-nitrophenyl)methanol
현지명: 3-브로모-5-니트로벤질알코올
영어명: 3-Bromo-5-nitrobenzyl alcohol
분자식: C7H6BrNO3
분자량: 232.03

이름 및 동의어

(3-bromo-5-nitrophenyl)methanol139194-79-93-BROMO-5-NITROBENZYL ALCOHOLBenzenemethanol, 3-bromo-5-nitro-MFCD09056873(3-bromo-5-nitro-phenyl)methanolSCHEMBL600500DTXSID30564822(3-bromo-5-nitrophenyl) methanolAMY142903-bromo-5-nitrobenzenemethanolSCHEMBL16956753

이름 더 보기

3-브로모-5-니트로벤질알코올3-Bromo-5-nitrobenzylalcohol97%3-Bromo-5-nitrobenzyl alcohol 97%(3-Bromo-5-nitrophenyl)methanol, 3-Bromo-5-(hydroxymethyl)nitrobenzene

SCHEMBL31434425PFA19479XH14633-NITRO-5-BROMOBENZYL ALCOHOLAKOS025129210MB07065PS-10572SY232367

데이터베이스 식별자

CAS: 139194-79-9
PubChem CID: 14866972
DTXSID: DTXSID30564822
EC Number: 116-616-9

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 66.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 171

물리화학적 성질

저장 조건: Sealed in dry,Room Temperature
InChI: InChI=1S/C7H6BrNO3/c8-6-1-5(4-10)2-7(3-6)9(11)12/h1-3,10H,4H2
InChIKey: WIXGOPRKQQGTHO-UHFFFAOYSA-N
SMILES: C1(CO)=CC([N+]([O-])=O)=CC(Br)=C1

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.