CAS 755027-18-0 1-Bromo-4-iodo-2-methoxybenzene (HCID 12187202)

기본 정보

CAS: 755027-18-0
표준 SMILES: COc1cc(I)ccc1Br
InChIKey: PIPWNWZBTWYPJB-UHFFFAOYSA-N
분자식: C7H6BrIO
평균 분자량: 312.93 g/mol
단동위원소 질량: 311.86467

이름 및 식별자

우선 이름: 1-Bromo-4-iodo-2-methoxybenzene
IUPAC: 1-bromo-4-iodo-2-methoxybenzene
현지명: 2-브로모-5-요오도아니솔
영어명: 2-Bromo-5-iodoanisole
분자식: C7H6BrIO
분자량: 312.93

이름 및 동의어

1-bromo-4-iodo-2-methoxybenzene755027-18-0RefChem:430649616-227-92-Bromo-5-iodoanisoleBenzene,1-bromo-4-iodo-2-methoxy-MFCD07780651BENZENE, 1-BROMO-4-IODO-2-METHOXY-1-Bromo-4-iodo-2-methoxy-benzene4-bromo-3-methoxyiodobenzene2-Bromo-5-iodophenyl methyl etherSCHEMBL629513

이름 더 보기

2-브로모-5-요오도아니솔2-Bromo-5-iodoanisole 98%2-bromo-5-iodophenyl ether2-iodine-5-bromophenyl ether1-Bromo-4-iodo-2-methoxybenzene, 2-Bromo-5-iodophenyl methyl ether

bromo-4-iodo-2-methoxybenzeneSCHEMBL29041372SCHEMBL29426958DTXSID60479672PIPWNWZBTWYPJB-UHFFFAOYSA-NAKOS015835289FB64625AC-28587

데이터베이스 식별자

CAS: 755027-18-0
PubChem CID: 12187202
DTXSID: DTXSID60479672
EC Number: 616-227-9

물성

구조 계산 물성

XLogP: 3.2
극성 표면적: 9.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 110

물리화학적 성질

끓는 점: 293.7 · 293.7±20.0 °C(Predicted)
밀도: 2.062 · 2.062
저장 조건: 2 · Keep in dark place,Sealed in dry,2-8°C
물리적 상태: 니들 크리스탈
색상: 희미한 노란색

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (50%): 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)

Aggregated GHS information provided per 2 reports by companies from 2 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.