4-브로모-2-메틸페닐이소시아네이트

4-Bromo-2-methylphenyl isocyanate

HCID 2735594

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1591-98-6
표준 SMILES: Cc1cc(Br)ccc1N=C=O
InChIKey: NXAYRHQYINQHRF-UHFFFAOYSA-N
분자식: C8H6BrNO
평균 분자량: 212.04 g/mol
단동위원소 질량: 210.96328

이름 및 식별자

우선 이름: 4-Bromo-2-methylphenyl isocyanate
IUPAC: 4-bromo-1-isocyanato-2-methylbenzene
현지명: 4-브로모-2-메틸페닐이소시아네이트
영어명: 4-BROMO-2-METHYLPHENYL ISOCYANATE
분자식: C8H6BrNO
분자량: 212.04

이름 및 동의어

4-Bromo-2-methylphenyl isocyanate1591-98-6DTXSID80370819RefChem:98096DTXCID50321853623-257-64-bromo-1-isocyanato-2-methylbenzene4-BROMO-2-METHYLPHENylisoCYANATEBenzene, 4-bromo-1-isocyanato-2-methyl-MFCD000370394-bromo-2-methylbenzenisocyanateSCHEMBL1021321

이름 더 보기

4-브로모-2-메틸페닐이소시아네이트5-Bromo-2-isocyanatotoluene4-Bromo-2-methylphenylisocyanate-98%4-Bromo-2-methylisocyanatophenyl ester4-Bromine-2-Methylbenzene isothiocyanate5-Bromo-2-isocyanatotoluene, 4-Bromo-1-isocyanato-2-methylbenzene

2-methyl-4-bromophenyl isocyanateNXAYRHQYINQHRF-UHFFFAOYSA-NGEO-00502SBB094574AKOS0052582494-bromo-1-isocyanato-2-methyl-benzeneAS-64350BP-12360

데이터베이스 식별자

CAS: 1591-98-6
PubChem CID: 2735594
DTXSID: DTXSID80370819
EC Number: 623-257-6
Nikkaji: J265.461J

물성

구조 계산 물성

XLogP: 3.8
극성 표면적: 29.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 177

물리화학적 성질

녹는점: 47 · 47-50 °C(lit.)
끓는 점: 78 °C · 78 °C(Press: 1 Torr)
밀도: 1.44 · 1.44±0.1 g/cm3(Predicted)
인화점: 230 °F · >230 °F
BRN: 7633645 · 7633645

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (90.9%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (97.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H334 (11.4%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]；H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+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 44 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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (90.9%)；Skin Irrit. 2 (97.7%)；Eye Irrit. 2 (97.7%)；Acute Tox. 4 (100%)；Resp. Sens. 1 (11.4%)；STOT SE 3 (97.7%)