4-브로모프탈산무수물

4-Bromophthalic anhydride

HCID 66590

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 86-90-8
표준 SMILES: O=C1OC(=O)c2cc(Br)ccc21
InChIKey: BCKVHOUUJMYIAN-UHFFFAOYSA-N
분자식: C8H3BrO3
평균 분자량: 227.01 g/mol
단동위원소 질량: 225.92656

이름 및 식별자

우선 이름: 4-Bromophthalic anhydride
IUPAC: 5-bromo-2-benzofuran-1,3-dione
현지명: 4-브로모프탈산무수물
영어명: 4-Bromo phthalic anhydrus
분자식: C8H3BrO3
분자량: 227.01

이름 및 동의어

4-Bromophthalic anhydride86-90-85-bromoisobenzofuran-1,3-dione4-Bromo Phthalic anhydride2D7E8SD3ZF5-BROMO-ISOBENZOFURAN-1,3-DIONEEINECS 201-707-9DTXSID70235342RefChem:520543DTXCID70157833201-707-95-Bromo-2-benzofuran-1,3-dione

이름 더 보기

4-브로모프탈산무수물4-BPA4-BrPATIMTEC-BB SBB0085344-Bromophthal Anhydride4-Bromophtalic Anhydride5-Bromo-2-Benzofuran-1,3

5-bromo-1,3-dihydro-2-benzofuran-1,3-dione1,3-Isobenzofurandione, 5-bromo-MFCD001913234-Bromophthalicanhydride5-bromophthalic anhydride4-Bromo-phthalic anhydride4-BROMOPHTHALIC ACID ANHYDRIDE5-BROMO-1,3-ISOBENZOFURANDIONE

데이터베이스 식별자

CAS: 86-90-8
PubChem CID: 66590
DTXSID: DTXSID70235342
UNII: 2D7E8SD3ZF
EC Number: 201-707-9
Nikkaji: J141.261B

물성

구조 계산 물성

XLogP: 2
극성 표면적: 43.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 238

물리화학적 성질

녹는점: 107 °C · 107 °C
끓는 점: 301 °C · 301 °C
밀도: 1.911 · 1.911
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
용해도: very soluble in Benzene
물리적 상태: powder to crystal
색상: 흰색에서 거의 흰색
InChI: InChI=1S/C8H3BrO3/c9-4-1-2-5-6(3-4)8(11)12-7(5)10/h1-3H
InChIKey: BCKVHOUUJMYIAN-UHFFFAOYSA-N
SMILES: C1(=O)C2=C(C=C(Br)C=C2)C(=O)O1

화학적 성질

off-white to white powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (33.3%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H318 (16.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (83.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H334 (16.7%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]；H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 6 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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (33.3%)；Skin Irrit. 2 (66.7%)；Skin Sens. 1 (33.3%)；Eye Dam. 1 (16.7%)；Eye Irrit. 2 (83.3%)；Resp. Sens. 1 (16.7%)；STOT SE 3 (66.7%)