2-METHOXY-5-METHYLPHENYL이소시아네이트

2-Isocyanato-1-methoxy-4-methylbenzene

HCID 4141520

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 59741-04-7
표준 SMILES: COc1ccc(C)cc1N=C=O
InChIKey: IDOHLSFNBKNRRJ-UHFFFAOYSA-N
분자식: C9H9NO2
평균 분자량: 163.17 g/mol
단동위원소 질량: 163.06332853

이름 및 식별자

우선 이름: 2-Isocyanato-1-methoxy-4-methylbenzene
IUPAC: 2-isocyanato-1-methoxy-4-methylbenzene
현지명: 2-METHOXY-5-METHYLPHENYL이소시아네이트
영어명: 2-Methoxy-5-methylphenyl isocyanate
분자식: C9H9NO2
분자량: 163.17

이름 및 동의어

59741-04-72-isocyanato-1-methoxy-4-methylbenzeneDTXSID30399838RefChem:262297DTXCID60350694626-495-92-Methoxy-5-methylphenyl isocyanate2-methoxy-5-methylphenylisocyanate2-isocyanato-1-methoxy-4-methyl-benzeneMFCD00013869Benzene, 2-isocyanato-1-methoxy-4-methyl-6-Methoxy-m-tolyl isocyanate

이름 더 보기

2-METHOXY-5-METHYLPHENYL이소시아네이트2-Methoy-5-methylphenyl isocyanate2-Methoxy-5-methylphenyl isocyanate-97%

ZINC02560442A832444Benzene, 2-isocyanato-1-methoxy-4-methyl- (9CI)3-Isocyanato-4-methoxytoluene478547_ALDRICHSCHEMBL1019299SCHEMBL296488472-methoxy-5-methylbenzenisocyanate

데이터베이스 식별자

CAS: 59741-04-7
PubChem CID: 4141520
DTXSID: DTXSID30399838
EC Number: 626-495-9
Nikkaji: J410.671G

물성

구조 계산 물성

XLogP: 3.2
극성 표면적: 38.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 187

물리화학적 성질

녹는점: 25 · 25-26 °C(lit.)
끓는 점: 240 °C · 240 °C(lit.)
밀도: 1.112 g/mL · 1.112 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.537(lit.)
인화점: 230 °F · >230 °F
물리적 상태: 액체 또는 저융점 고체
색상: 무색의
BRN: 3604599 · 3604599

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (91.1%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (91.1%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H334 (13.3%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]；H335 (100%): 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 45 reports by companies from 5 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 (91.1%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (91.1%)；Resp. Sens. 1 (13.3%)；STOT SE 3 (100%)