ノルボルナン-2-メタノール

Bicyclo(2.2.1)heptane-2-methanol

HCID 21308CAS 5240-72-2

部分構造検索類似構造を探す

基本情報

標準SMILES: OCC1CC2CCC1C2
InChIKey: LWHKUVOYICRGGR-UHFFFAOYSA-N
分子式: C8H14O
平均分子量: 126.2 g/mol
単同位体質量: 126.10446507

名称と識別子

優先名称: Bicyclo(2.2.1)heptane-2-methanol
IUPAC: 2-bicyclo[2.2.1]heptanylmethanol
現地名: ノルボルナン-2-メタノール
英語名: 2-Norbornanemethanol
分子式: C8H14O
分子量: 126.2

名称と別名

5240-72-2Bicyclo[2.2.1]heptane-2-methanol2-Norbornylmethanol2-Norcamphanemethanol2-(Hydroxymethyl)norbornane2-Norcamphanylmethanol2-Norkamfanylmethanol2-Norcamphane methanolCPC 1207Experimental chemotherapeutant 1,2072-HydroxymethylnorcamphaneCC 1207

名称をさらに表示

ノルボルナン-2-メタノール2-ヒドロキシメチルビシクロ[2.2.1]ヘプタン2-ノルボルナンメタノールビシクロ[2.2.1]ヘプタン-2-メタノールビシクロ[2.2.1]ヘプタン-2-イルメタノール2-ノルボルナンメタノール, ENDO体およびEXO体混合物{ビシクロ[2.2.1]ヘプタン-2-イル}メタノールBicyclo[2.2.1]heptan-2-ylMethanolcc1207cpc12072-NorbornemethanolTIMTEC-BB SBB0082102-NORBORNANEMETHANOL

EC-1207NSC 53599NSC 556932-Norkamfanylmethanol [Czech]Bicyclo(2.2.1)heptane-2-methanolEINECS 226-041-62-Hydroxymethylbicyclo(2.2.1)heptaneBRN 2203428

データベース識別子

CAS: 5240-72-2
PubChem CID: 21308
DTXSID: DTXSID70875762
EC Number: 226-041-6
Nikkaji: J54.261J

物性

構造計算による物性

XLogP: 1.8
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: 111

物理化学的性質

沸点: 93 · 93-95 °C14 mm Hg(lit.)
比重(密度): 0.942 g/mL · 0.942 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.49(lit.)
闪点: 184 °F · 184 °F
貯蔵温度: Store at room temperature
酸解離定数(Pka): 15.05 · 15.05±0.10(Predicted)
外見: clear liquid
色: Colorless to Yellow to Orange
水溶解度: 999 mg/L · 999mg/L(温度表記なし)
InChI: InChI=1S/C8H14O/c9-5-8-4-6-1-2-7(8)3-6/h6-9H,1-5H2
InChIKey: LWHKUVOYICRGGR-UHFFFAOYSA-N
SMILES: C12CC(CC1)CC2CO
CAS データベース: 5240 · 5240-72-2(CAS DataBase Reference)
NISTの化学物質情報: 2.2 · Bicyclo[2.2.1]heptane-2-methanol(5240-72-2)
EPAの化学物質情報: 2.2 · Bicyclo[2.2.1]heptane-2-methanol (5240-72-2)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

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

P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 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

Regulatory InformationBicyclo2.2.1heptane-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
rtecs: RB7350000
ridadr: UN 2810 6.1/PG 3
毒性: LD50 orl-rat: 1600 mg/kg 28ZEAL 4,302,69
hs_code: 2906.19.5000
risk_code: 20/21/22-36/37/38
消防法: 危-4-3-III
hazard_code: Xn
safety_code: 26-36/37/39-45
hazard_class: 6.1(b)
packing_group: III
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

化学と産業

用途と製造

General Manufacturing InformationBicyclo[2.2.1]heptane-2-methanol: INACTIVE

応用分野

一般的な説明2-Norbornanemethanol undergoes condensation reaction with methacryloyl chloride to yield bicyclo[2.2.1]hept-2-ylmethyl 2-methylacrylate comonomer for synthesis of fluorinated poly(maleimide-co-glycidylmethacrylate).