Hexyl isocyanate (HCID 75659)

概要

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.

名称と識別子

優先名称: Hexyl isocyanate
IUPAC: 1-isocyanatohexane
現地名: イソシアン酸ヘキシル
英語名: Hexyl isocyanate
分子式: C7H13NO
分子量: 127.18

名称と別名

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

名称をさらに表示

イソシアン酸ヘキシル1ヘキシルイソシアネ-トイソシアン酸N-ヘキシル1-イソシアナトヘキサンイソシアン酸N‐ヘキシルヘキシルイソシアナートHexyl isocyateIsocyanatohexane1-isocyanato-hexanisocyanated’hexyleHexylIsocyanate>1-isocyanato-Hexane

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

データベース識別子

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

物性

構造計算による物性

XLogP: 3.3
極性表面積: 29.4 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 5
重原子数: 9
形式電荷: 0
複雑度: 95.1

物理化学的性質

沸点: 162 · 162-164 °C (lit.)
比重(密度): 0.873 g/mL · 0.873 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.421(lit.)
闪点: 140 °F · 140 °F
外見: 液体
色: 無色～微黄色
比重: 0.878 · 0.878
水溶解度: 分解する
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
CAS データベース: 2525 · 2525-62-4(CAS DataBase Reference)
EPAの化学物質情報: 1 · Hexane, 1-isocyanato- (2525-62-4)

化学的性質

化学的特性colorless to slightly yellow liquid

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

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

安全データ

F: 10-19-21
wgk: 3
tsca: TSCA listed
ridadr: UN 3080 6.1/PG 2
hs_code: 29291090
risk_code: 10-20/21/22-42-36/37/38
消防法: 危-4-2-III
hazard_code: Xn,Xi
safety_code: 23-36/37-37/39-26
hazard_class: 6.1(a)
packing_group: II
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralFlam. Liq. 3Resp. Sens. 1Skin Sens. 1
ストレージクラス: 3 - Flammable liquids

化学と産業

用途と製造

General Manufacturing InformationHexane, 1-isocyanato-: ACTIVE

応用分野 · 3 件

用途有機合成原料。

使用Hexyl 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

一般的な説明Hexyl 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.

上流・下流製品情報

上流原料

キノリンヘキシルアミン N-ヘキシル-3-オキソブタンアミド 1-イソシアノヘキサン Carbamic acid, N-hexyl-, methyl ester N-ヘキシルホルムアミドヘプタノヒドロキサム酸ヘプタンアミドヘプタン酸クロリド 1-ブロモヘキサン

サプライヤー50 社

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]

補足説明

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

イソシアン酸ヘキシル

基本情報

概要