1,3-Bis(isocyanatomethyl)benzene (HCID 19262)

이름 및 식별자

우선 이름: 1,3-Bis(isocyanatomethyl)benzene
IUPAC: 1,3-bis(isocyanatomethyl)benzene
현지명: m-자일렌 다이아이소사이아네이트
영어명: 1,3-Bis(isocyanatomethyl)benzene
분자식: C10H8N2O2
분자량: 188.18

이름 및 동의어

1,3-Bis(isocyanatomethyl)benzene3634-83-1m-Xylylene diisocyanatem-Xylene diisocyanateTakenateM-XdiTakenate 500Benzene, 1,3-bis(isocyanatomethyl)-m-Xylidene diisocyanatem-Xylylendiisokyanatm-Phenylenedimethylene isocyanateDTXSID5038919

이름 더 보기

m-자일렌다이아이소사이아네이트m-자일렌다이아이소사이아네이트1,3-다이(아이소사이아네이토메틸)벤젠1,3-비스(아이소사이아네이토메틸)벤젠1,3-자일릴렌 다이아이소사이아네이트m-자일릴렌 다이아이소사이아네이트m-페닐렌다이메틸렌 아이소사이아네이트벤젠, 1,3-비스(아이소사이아네이토메틸)-아이소사이안산, m-페닐렌다이메틸렌 에스터XDItakenate500m-xylidenediisocyanate3-XYLYLENEDIISO-CYANATE1,3-xylylenediisocyanate

m-Xylylendiisokyanat [Czech]1,3-Bis-(isokyanatomethyl)benzenISOCYANIC ACID, m-PHENYLENEDIMETHYLENE ESTEREINECS 222-852-4UNII-D85XJ1813JBRN 07818251,3-Bis-(isokyanatomethyl)benzen [Czech]D85XJ1813J

데이터베이스 식별자

CAS: 26471-62-5、3634-83-1
PubChem CID: 19262
DTXSID: DTXSID5038919
UNII: D85XJ1813J
EC Number: 222-852-4
Nikkaji: J54.460D

물성

구조 계산 물성

XLogP: 3.4
극성 표면적: 58.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 14
형식 전하: 0
복잡도: 239

실험 및 물리화학적 성질

Physical DescriptionLiquid; Other Solid

물리화학적 성질

녹는점: -7 °C · -7°C
끓는 점: 88 · 88-90 °C/0.02 mmHg (lit.)
밀도: 1.202 g/mL · 1.202 g/mL at 20 °C (lit.)
증기압: 0.021 Pa · 0.021Pa at 20℃
굴절률: 20 · n20/D 1.451
인화점: 42 °C · 42°C
저장 조건: 2 · 2-8°C
용해도: 클로로포름(소량으로 용해), 메탄올(약간 용해됨)
물리적 상태: 투명한 액체
색상: 무색~연황색
BRN: 781825 · 781825
안정성: 흡습성, 수분 민감성
InChI: 1S/C10H8N2O2/c13-7-11-5-9-2-1-3-10(4-9)6-12-8-14/h1-4H,5-6H2
InChIKey: RTTZISZSHSCFRH-UHFFFAOYSA-N
SMILES: O=C=NCc1cccc(CN=C=O)c1
LogP: 3.215 · 3.215 (est)
EPA: 1 · 1,3-Bis(isocyanatomethyl)benzene (3634-83-1)

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H226 (35%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P308+P316, P316, P317, P319, P320, P321, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P363, P370+P378, P403, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 214 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H315: Causes skin irritation [Warning Skin corrosion/irritation]

유해성 정보

Regulatory Information · 6건

Chemical: Benzene, 1,3-diisocyanatomethyl-

Hazard Traits - Respiratory Toxicity

Regulation (EC) No 1935/2004 (amended)

Benzene, 1,3-diisocyanatomethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, 1,3-diisocyanatomethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

SP - indicates a substance that is identified in a proposed Significant New Use Rule.

Other Safety InformationIMAP assessments - Benzene, 1,3-diisocyanatomethyl-: Environment tier I assessment

Hazard Classes and Categories · 2건

Flam. Liq. 3 (35%)

Acute toxicity (Inhalation: Dusts and mists) - Category 2

안전 데이터

wgk: 2
tsca: TSCA listed
rtecs: NR0147000
ridadr: UN 2920 8/PG 2
독성: mouse,LD50,oral,840mg/kg (840mg/kg),Takeda Kenkyusho Ho. Journal of the Takeda Research Laboratories. Vol. 39, Pg. 202, 1980.
HS 번호: 29291090
risk_code: 10-34-42
hazard_code: C
safety_code: 16-23-26-36/37/39-45
포장분류: II
위험 등급: 6.1
기존화학 물질: KE-03244
F 고인화성물질: 8-10-19-21
Hazard Classifications: Acute Tox. 2 InhalationAquatic Chronic 3Eye Dam. 1Flam. Liq. 3Resp. Sens. 1Skin Irrit. 2Skin Sens. 1ASTOT RE 1 InhalationSTOT SE 1 Inhalation
스토리지 클래스: 3 - Flammable liquids