3,5-Xylyl isocyanate

HCID 521488

노트 반응

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기본 정보

CAS: 54132-75-1
표준 SMILES: Cc1cc(C)cc(N=C=O)c1
InChIKey: DZSGDHNHQAJZCO-UHFFFAOYSA-N
분자식: C9H9NO
평균 분자량: 147.17 g/mol
단동위원소 질량: 147.06841391

이름 및 식별자

우선 이름: 3,5-Xylyl isocyanate
IUPAC: 1-isocyanato-3,5-dimethylbenzene
영어명: 3,5-Dimethylphenyl isocyanate
분자식: C9H9NO
분자량: 147.17

이름 및 동의어

3,5-Dimethylphenyl isocyanate54132-75-13,5-Xylyl isocyanateDTXSID30202474EINECS 258-987-0RefChem:487118DTXCID30124965258-987-01-Isocyanato-3,5-dimethylbenzene3,5-DimethylphenylisocyanateBenzene, 1-isocyanato-3,5-dimethyl-MFCD00013868

이름 더 보기

5-Isocyanato-m-xylene3,5-DimethylphenylIsocyanate>3,5-Dimethyl-1-isocyanatobenzene3,5-Dimethylphenylisocyanate-97%3,5-Dimethylphenyl isocyanate,99%3,5-DIMETHYLPHENYL ISOCYANATE 99%

SCHEMBL598521-Isocyanato-3,5-dimethylbenzene #3,5-Dimethylphenyl isocyanate, 99%GEO-02836AKOS000177074AS-10327SY050018EN300-146935

데이터베이스 식별자

CAS: 54132-75-1
PubChem CID: 521488
DTXSID: DTXSID30202474
UNII: PF4RN5ARA2
EC Number: 258-987-0
Nikkaji: J279.586H

물성

구조 계산 물성

XLogP: 3.5
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: 162

물리화학적 성질

끓는 점: 75 °C · 75 °C (5 mmHg)
밀도: 1.045 g/mL · 1.045 g/mL at 25 °C (lit.)
증기압: 0.2 psi · 0.2 psi ( 20 °C)
굴절률: 20 · n20/D 1.528(lit.)
인화점: 183 °F · 183 °F
저장 조건: 2 · 2-8°C
물리적 상태: 투명한 액체
색상: 무색~황색~주황색
수용성: 물에서 가수분해됩니다.
BRN: 774958 · 774958
InChI: InChI=1S/C9H9NO/c1-7-3-8(2)5-9(4-7)10-6-11/h3-5H,1-2H3
InChIKey: DZSGDHNHQAJZCO-UHFFFAOYSA-N
SMILES: C1(N=C=O)=CC(C)=CC(C)=C1

화학적 성질

Clear light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (10.4%): Toxic if swallowed [Danger Acute toxicity, oral]

P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P316, 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 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (10.4%)

안전 데이터

wgk: 3
ridadr: UN 2206 6.1/PG 3
HS 번호: 29291090
risk_code: 20/21/22-36/37/38
hazard_code: Xn
safety_code: 23-26-27-28-37/39
포장분류: III
위험 등급: 6.1
위험 참고 사항: Harmful
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects