3-브로모-4-아이오도톨루엔

3-Bromo-4-iodotoluene

HCID 626634

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 71838-16-9
표준 SMILES: Cc1ccc(I)c(Br)c1
InChIKey: PLAKKSAFIZVHJP-UHFFFAOYSA-N
분자식: C7H6BrI
평균 분자량: 296.93 g/mol
단동위원소 질량: 295.86976

이름 및 식별자

우선 이름: 3-Bromo-4-iodotoluene
IUPAC: 2-bromo-1-iodo-4-methylbenzene
현지명: 3-브로모-4-아이오도톨루엔
영어명: 3-BROMO-4-IODOTOLUENE
분자식: C7H6BrI
분자량: 296.93

이름 및 동의어

3-Bromo-4-iodotoluene71838-16-9DTXSID80347849RefChem:498672DTXCID60298921674-072-22-Bromo-1-iodo-4-methylbenzene1-bromo-2-iodo-5-methylbenzeneMFCD00079718Benzene, 2-bromo-1-iodo-4-methyl-2-bromo-1-iodo-4-methyl-benzeneAKOS015834647

이름 더 보기

3-브로모-4-아이오도톨루엔

CS-W019589AS-19885SY014476B5284D701252-Bromo-4-methyliodobenzeneA837341SCHEMBL2722113

데이터베이스 식별자

CAS: 71838-16-9
PubChem CID: 626634
DTXSID: DTXSID80347849
EC Number: 674-072-2
Nikkaji: J1.995.266E

물성

구조 계산 물성

XLogP: 3.6
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 94

물리화학적 성질

녹는점: 265 · 265-267 °C
끓는 점: 133 °C · 133 °C
밀도: 2 · 2,08 g/cm3
굴절률: 1.65 · 1.65
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: 투명한 액체
색상: 밝은 노란색에서 갈색까지
Specific Gravity: 2.08 · 2.08
InChI: InChI=1S/C7H6BrI/c1-5-2-3-7(9)6(8)4-5/h2-4H,1H3
InChIKey: PLAKKSAFIZVHJP-UHFFFAOYSA-N
SMILES: C1(I)=CC=C(C)C=C1Br

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302+H312+H332 (25%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (75%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): 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, P317, 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 4 reports by companies from 4 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.