1-(브로모메틸)-3-메톡시-5-메틸벤젠

1-(Bromomethyl)-3-methoxy-5-methylbenzene

HCID 585534CAS 106116-42-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COc1cc(C)cc(CBr)c1
InChIKey: MKSIZXUATJUOTA-UHFFFAOYSA-N
분자식: C9H11BrO
평균 분자량: 215.09 g/mol
단동위원소 질량: 213.99933

이름 및 식별자

우선 이름: 1-(Bromomethyl)-3-methoxy-5-methylbenzene
IUPAC: 1-(bromomethyl)-3-methoxy-5-methylbenzene
현지명: 1-(브로모메틸)-3-메톡시-5-메틸벤젠
영어명: 1-(Bromomethyl)-3-methoxy-5-methylbenzene
분자식: C9H11BrO
분자량: 215.09

이름 및 동의어

1-(bromomethyl)-3-methoxy-5-methylbenzene106116-42-1DTXSID60342892RefChem:427293DTXCID20293972959-941-91-Bromomethyl-3-methoxy-5-methylbenzene1-bromomethyl-3-methoxy-5-methyl-benzeneBenzene, 1-(bromomethyl)-3-methoxy-5-methyl-MFCD092640623-bromomethyl-5-methylanisoleSCHEMBL1936578

이름 더 보기

1-(브로모메틸)-3-메톡시-5-메틸벤젠

GEA11642AKOS016007262AB50499DB-363483C90360EN300-256224

데이터베이스 식별자

CAS: 106116-42-1
PubChem CID: 585534
DTXSID: DTXSID60342892
EC Number: 959-941-9
Nikkaji: J1.262.908G

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 9.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 116

물리화학적 성질

녹는점: 38 °C · 38 °C(Solv: methanol (67-56-1))
끓는 점: 263.7 · 263.7±25.0 °C(Predicted)
밀도: 1.351 · 1.351±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, 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.