Hexyl isocyanate (HCID 75659)

개요

Hexyl isocyanate is an isocyanate in which a single isocyanato substituent is located at C-1 of a hexane molecule; found to be immunogenic in guinea pigs. It has a role as an immunomodulator and an allergen.

이름 및 식별자

우선 이름: Hexyl isocyanate
IUPAC: 1-isocyanatohexane
영어명: Hexyl isocyanate
분자식: C7H13NO
분자량: 127.18

이름 및 동의어

Hexyl isocyanate1-IsocyanatohexaneHexane, 1-isocyanato-1-Hexyl isocyanatehexylmonoisocyanaten-Hexyl isocyanatehexyl monoisocyanateCHEBI:59058K9T9YK3VJUEINECS 219-763-8DTXSID8062492RefChem:146345

이름 더 보기

Hexyl isocyateIsocyanatohexane1-isocyanato-hexanisocyanated’hexyleHexylIsocyanate>1-isocyanato-Hexane

DTXCID8037251ANJPRQPHZGHVQB-UHFFFAOYSA-N2525-62-4MFCD00037047hexanisocyanateHMIIsocyanic acid n-hexyl esterHexylisocyanate

데이터베이스 식별자

CAS: 2525-62-4
PubChem CID: 75659
DTXSID: DTXSID8062492
ChEBI: CHEBI:59058
UNII: K9T9YK3VJU
EC Number: 219-763-8
Nikkaji: J62.495K

물성

구조 계산 물성

XLogP: 3.3
극성 표면적: 29.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 5
무거운 원자 수: 9
형식 전하: 0
복잡도: 95.1

물리화학적 성질

끓는 점: 162 · 162-164 °C (lit.)
밀도: 0.873 g/mL · 0.873 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.421(lit.)
인화점: 140 °F · 140 °F
물리적 상태: 액체
색상: 무색~약간 노란색
Specific Gravity: 0.878 · 0.878
수용성: 물에서 분해되다
BRN: 1751836 · 1751836
InChI: InChI=1S/C7H13NO/c1-2-3-4-5-6-8-7-9/h2-6H2,1H3
InChIKey: ANJPRQPHZGHVQB-UHFFFAOYSA-N
SMILES: C(N=C=O)CCCCC
EPA: 1 · Hexane, 1-isocyanato- (2525-62-4)

화학적 성질

colorless to slightly yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P272, P280, P284, P301+P317, P302+P352, P303+P361+P353, P304+P340, P317, P321, P330, P333+P317, P342+P316, P362+P364, P370+P378, P403, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 3080 6.1/PG 2
HS 번호: 29291090
risk_code: 10-20/21/22-42-36/37/38
hazard_code: Xn,Xi
safety_code: 23-36/37-37/39-26
포장분류: II
위험 등급: 6.1(a)
F 고인화성물질: 10-19-21
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralFlam. Liq. 3Resp. Sens. 1Skin Sens. 1
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationHexane, 1-isocyanato-: ACTIVE

응용 분야 · 2건

용도Hexyl isocyanate may be employed for the synthesis of following:rigid-rod, helical isocyanate-based macromonomersrod-coil-rod triblock copolymers with 2-vinylpyridine, by living anionic polymerizationchiral poly(n-hexyl isocyanate) (PHIC) macromonomers, by living anionic polymerization

일반 설명Hexyl isocyanate has been investigated for its antigenicity in the guinea pig animal model of hapten-specific respiratory hypersensitivity. Polymerization of n-hexyl isocyanate using rare earth tris(2,6-di-tert-butyl-4-methylphenolate) [Ln(OAr)3] as initiator has been studied.

상·하류 제품 정보

상류 원료

공급사50 곳

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

韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]

湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

广州弗尔博生物科技有限公司19513720913 · [email protected]

추가 설명

정의ChEBI: An isocyanate in which a single isocyanato substituent is located at C-1 of a hexane molecule; found to be immunogenic in guinea pigs.

연결된 노트

불러오는 중…

Hexyl isocyanate

기본 정보

개요