2,6-Xylyl isocyanate (HCID 98787)

이름 및 식별자

우선 이름: 2,6-Xylyl isocyanate
IUPAC: 2-isocyanato-1,3-dimethylbenzene
현지명: 2,6-디메틸페닐이소시아네이트
영어명: 2,6-Dimethylphenyl isocyanate
분자식: C9H9NO
분자량: 147.17

이름 및 동의어

2,6-Dimethylphenyl isocyanate28556-81-22-Isocyanato-1,3-dimethylbenzeneBenzene, 2-isocyanato-1,3-dimethyl-2,6-xylyl isocyanate2QL5MU0E0CNSC 165602NSC-165602DTXSID00673972,6-DIMETHYLPHENYLENEISOCYANATEISOCYANIC ACID, 2,6-XYLYL ESTERRefChem:445877

이름 더 보기

2,6-디메틸페닐이소시아네이트2-이소시아나토-1,3-디메틸2,6-크실릴에스테르2,6-다이메틸페닐 아이소시아네이트Adagrasib Impurity 102,6-DimethylphenylIsocyanate>2,6-Dimethylphenylisocyanate-98%2-isocyanato-1,3-dimethyl-benzen2,6-Dimethylphenyl isocyanate,99%2,6-DIMETHYLPHENYL ISOCYANATE 99%

DTXCID8037837628-230-22,6-DimethylphenylisocyanateMFCD000020122-isocyanato-1,3-dimethyl-benzene2,6-dimethylbenzenisocyanateNSC165602Isocyanic Acid 2,6-Dimethylphenyl Ester

데이터베이스 식별자

CAS: 28556-81-2
PubChem CID: 98787
DTXSID: DTXSID0067397
UNII: 2QL5MU0E0C
EC Number: 628-230-2
Nikkaji: J246.369E

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

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical shift

물리화학적 성질

끓는 점: 87 · 87-89 °C (12 mmHg)
밀도: 1.057 g/mL · 1.057 g/mL at 25 °C(lit.)
굴절률: 1.5346 · 1.5346-1.5366
인화점: 86 °C · 86 °C
저장 조건: 2 · 2-8°C
용해도: 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨)
물리적 상태: 투명한 액체
색상: Colorless to Light orange to Yellow
Specific Gravity: 1.057 · 1.057
BRN: 742593 · 742593
InChI: 1S/C9H9NO/c1-7-4-3-5-8(2)9(7)10-6-11/h3-5H,1-2H3
InChIKey: YQLRKXVEALTVCZ-UHFFFAOYSA-N
SMILES: Cc1cccc(C)c1N=C=O
NIST: 2 · 2,6-Dimethylphenyl isocyanate(28556-81-2)
EPA: 2 · Benzene, 2-isocyanato-1,3-dimethyl- (28556-81-2)

화학적 성질

light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (10.9%): 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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (10.9%)

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: 2206
HS 번호: 2929100090
risk_code: 42-36/37/38-20/21/22
hazard_code: Xn
safety_code: 45-36/37/39-26-23-37/39-28-27
포장분류: III
위험 등급: 6.1
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

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzene, 2-isocyanato-1,3-dimethyl-: INACTIVE

응용 분야 · 1건

용도2,6-Dimethylphenyl isocyanate has been used in the preparation of:derivatized β-cyclodextrins, used as chiral stationary phase in normal-phase liquid chromatographytris( 2,6-dimethylphenylimido)methylrhenium (VII)1-(2-isopropylphenyl)-3-(2,6-dimethylphenyl)urea

상·하류 제품 정보

상류 원료

하류 제품

Urea, N-(2,6-dimethylphenyl)-N'-[imino(methylamino)methyl]-2-Chloro-N-(2,6-dimethylphenyl)acetamide 5α-콜레스트-3-엔 시스-시클로도데센.N-tert-Butylisopropylamine

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

成都超九八生物科技有限公司13348960310 13348960310 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

연결된 노트

불러오는 중…

2,6-디메틸페닐이소시아네이트

기본 정보