Bicyclo(2.2.1)hept-5-ene-2-methanol (HCID 78946)

概要

structure in first source

名称と識別子

優先名称: Bicyclo(2.2.1)hept-5-ene-2-methanol
IUPAC: 2-bicyclo[2.2.1]hept-5-enylmethanol
現地名: ノルボルナ-5-エン-2-メタノール
英語名: 5-Norbornene-2-methanol
分子式: C8H12O
分子量: 124.18

名称と別名

5-Norbornene-2-methanol95-12-5Bicyclo[2.2.1]hept-5-ene-2-methanolCyclolBicyclo(2.2.1)hept-5-ene-2-methanolNSC-403110N43L8J2KTLDTXSID3038698J21.816BRefChem:568109DTXCID1018698Bicyclo2.2.1hept-5-ene-2-methanol

名称をさらに表示

5-ヒドロキシメチルノルボルナ-2-エンビシクロ[2.2.1]ヘプタ-5-エン-2-メタノールノルボルナ-5-エン-2-メタノールビシクロ[2.2.1]ヘプタ-2-エン-5-メタノール5-ヒドロキシメチルビシクロ[2.2.1]ヘプタ-2-エン5-ノルボルネン-2-メタノール (異性体混合物)ビシクロ[2.2.1]ヘプタ-5-エン-2-メタノール (異性体混合物)5-ノルボルネン-2-メタノール2-HYDROXYMETHYL-1-BICYCLO(2.2.1)HEPT-5-ENETIMTEC-BB SBB0085805-Norbronene-2-methanolNorborn-5-ene-2-methanol5-Hyboradiene-2-methanol5-Norbornene-2-yl methanol

202-392-0Bicyclo[2.2.1]hept-5-en-2-ylmethanol2-Hydroxymethyl-5-norbornene2-bicyclo[2.2.1]hept-5-enylmethanol5-Hydroxymethyl-2-norbornene5-Norbornene 2-methanol5-norbornen-2-methanolUNII-N43L8J2KTL

データベース識別子

CAS: 95-12-5
PubChem CID: 78946
DTXSID: DTXSID3038698
EC Number: 202-392-0
Nikkaji: J21.816B

物性

構造計算による物性

XLogP: 1.2
極性表面積: 20.2 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 1
重原子数: 9
形式電荷: 0
複雑度: 140

物理化学的性質

沸点: 97 °C/20 · 97 °C/20 mmHg (lit.)
比重(密度): 1.027 g/mL · 1.027 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.500(lit.)
闪点: 188 °F · 188 °F
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
外見: clear liquid
酸解離定数(Pka): 14.92 · 14.92±0.10(Predicted)
色: Colorless to Almost colorless
InChI: 1S/C8H12O/c9-5-8-4-6-1-2-7(8)3-6/h1-2,6-9H,3-5H2/t6-,7+,8/m0/s1
InChIKey: LUMNWCHHXDUKFI-KJFJCRTCSA-N
SMILES: OCC1C[C@@H]2C[C@H]1C=C2
CAS データベース: 95 · 95-12-5(CAS DataBase Reference)
NISTの化学物質情報: 5 · 5-Norbornene-2-methanol(95-12-5)
EPAの化学物質情報: 2.2 · Bicyclo[2.2.1]hept-5-ene-2-methanol (95-12-5)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationBicyclo2.2.1hept-5-ene-2-methanol: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (100%)

安全データ

wgk: 3
tsca: TSCA listed
hs_code: 2906190090
risk_code: 20/21/22
消防法: 危-4-3-III
hazard_code: Xn
safety_code: 36/37/39-45
Hazard Classifications: Acute Tox. 4 Oral
ストレージクラス: 10 - Combustible liquids

化学と産業

用途と製造

General Manufacturing InformationBicyclo[2.2.1]hept-5-ene-2-methanol: ACTIVE

応用分野

使用5-Norbornene-2-methanol has been used in the preparation of:4-(norborn-2-ene-5-ylmethyleneoxy)-2,2′:6′,2′′-terpyridine5- {[(3,5-di-t-butyl-4-hydroxy-benzoyl)oxy]methyl}-2-norbornene (BHBN)

一般的な説明Co-polymerization of 5-norbornene-2-methanol with ethylene using heterogeneous silica supported catalysts has been reported.