3-ニトロベンジルアルコール

3-Nitrobenzyl alcohol

HCID 69267CAS 619-25-0
部分構造検索類似構造を探す

基本情報

標準SMILES
O=[N+]([O-])c1cccc(CO)c1
InChIKey
CWNPOQFCIIFQDM-UHFFFAOYSA-N
分子式
C7H7NO3
平均分子量
153.14 g/mol
単同位体質量
153.04259309

名称と識別子

優先名称
3-Nitrobenzyl alcohol
IUPAC
(3-nitrophenyl)methanol
現地名
3-ニトロベンジルアルコール
英語名
3-Nitrobenzyl alcohol
分子式
C7H7NO3
分子量
153.14

名称と別名

3-Nitrobenzyl alcohol619-25-0m-Nitrobenzyl alcoholBenzenemethanol, 3-nitro-3-NitrobenzenemethanolBenzyl alcohol, m-nitro-DTXSID0060698F829X990IVNSC-5388RefChem:504489DTXCID1043170210-588-2
名称をさらに表示
3-ニトロベンジルアルコール3-ニトロベンゼンメタノールm-ニトロベンジルアルコールm-ニトロベンゼンメタノール3-ニトロベンジルアルコ-ルNOBARARECHEM AL BD 0189m-nitro-benzylalcoho3-Nitrobenzylalkoholm-Nitrobenzenemethanol3-nitro-benzenemethano
(3-Nitrophenyl)methanol3-nitrobenzylalcoholMFCD00007273BRN 2044769(3-Nitro-phenyl)-methanolM-NITROPHENYLMETHANOLNITROBENZYL ALCOHOL, 3-M-(HYDROXYMETHYL)NITROBENZENE

データベース識別子

CAS
619-25-0
PubChem CID
69267
DTXSID
DTXSID0060698
ChEBI
CHEBI:191016
UNII
F829X990IV
EC Number
210-588-2
Nikkaji
J28.536F

物性

構造計算による物性

XLogP
1.2
極性表面積
66.1 Ų
水素結合供与体数
1
水素結合受容体数
3
回転可能結合数
1
重原子数
11

実験および物理化学的性質

Vapor Pressure0.0000858 [mmHg]
Physical DescriptionLiquid; mp = 30-32 deg C; [Sigma-Aldrich MSDS]
Kovats Retention Index1545

物理化学的性質

融点
30 · 30-32 °C(lit.)
沸点
175 · 175-180 °C3 mm Hg(lit.)
比重(密度)
1.29 g/mL · 1.29 g/mL at 20 °C(lit.)
屈折率
1.573 · 1.5730
闪点
230 °F · >230 °F
貯蔵温度
2 · Sealed in dry,2-8°C

化学的性質

化学的特性yellow to brown crystalline low melting solid

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (28.6%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (14.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (85.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (85.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (28.6%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (85.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 7 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Regulatory InformationBenzenemethanol, 3-nitro-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (28.6%)；Acute Tox. 4 (14.3%)；Skin Irrit. 2 (85.7%)；Eye Irrit. 2A (85.7%)；Acute Tox. 4 (28.6%)；STOT SE 3 (85.7%)

法規制情報

Regulatory InformationBenzenemethanol, 3-nitro-: Does not have an individual approval but may be used under an appropriate group standard

安全データ

F
10-23
wgk
3
tsca
TSCA listed
rtecs
DP0657000
hs_code
29062900
risk_code
11-34

化学と産業

用途と製造

UsesSynthetic Polymer MALDI Matrix Compounds
General Manufacturing InformationBenzenemethanol, 3-nitro-: ACTIVE
応用分野 · 2 件

使用3-Nitrobenzyl alcohol is the best substrate for cytosolic alcohol dehydrogenase. 3-Nitrobenzyl alcohol was employed as matrix during fast-atom bombardment mass spectrometry. It was used in isolation of palmitylated peptide fragment from bovine rhodopsin and its characterization by mass spectrometry. It has been used as a liquid matrix for fast atom bombardment[1] and matrix-assisted laser desorption ionization. In electrospray ionization 3-NBA is doped into low surface tension spray solvents to increase analyte charging.

一般的な説明3-Nitrobenzyl alcohol is the best substrate for cytosolic alcohol dehydrogenase.

上流・下流製品情報

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]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

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