CAS 2086-26-2 MFCD00012954-4-Nitrobenzyloxyamine O-(4-硝基苄基)羟胺盐酸盐 TAO{mole}

4-Nitrobenzyloxyamine O-(4-硝基苄基)羟胺盐酸盐

CAS 2086-26-2 MFCD00012954

化学结构图

SMILES: Cl.NOCc1ccc([N+](=O)[O-])cc1

化学属性

Mol. Formula	C7H9ClN2O3
Mol. Weight	204.61
Melting Point	215 °C
TSCA	Yes
Boiling Point	226 °C at 760 mmHg

别名和识别编码

Chemical Name	O-(4-Nitrobenzyl)hydroxylamine hydrochloride
CAS Number	2086-26-2
Alfabeta Name	AMINOOXYMETHYLNITROBENZENEHYDROCHLORIDE 14[]()---
MDL Number	MFCD00012954
Synonym	O-(4-Nitrobenzyl)hydroxylamine (hydrochloride) {LY} O-(4-Nitrobenzyl)hydroxylamine (hydrochloride) O-nitrobenzylhydroxylamine para-nitrobenzyloxyamine {} {LY} O-(4-Nitrobenzyl)hydroxylamine (hydrochloride) {} {} {LY} O-(4-Nitrobenzyl)hydroxylamine (hydrochloride) {} {} {} {LY} O-(4-Nitrobenzyl)hydroxylamine (hydrochloride) {} {} {} {} {LY} O-(4-Nitrobenzyl)hydroxylamine (hydrochloride) {} {} {} {} {} {LY} O-(4-Nitrobenzyl)hydroxylamine (hydrochloride) {} {} {} {} {} {} {LY} O-(4-Nitrobenzyl)hydroxylamine (hydrochloride) {} {} {} {} {} {} {} {LY} O-(4-Nitrobenzyl)hydroxylamine (hydrochloride) {} {} {} {} {} {} {} {} {LY} O-(4-Nitrobenzyl)hydroxylamine (hydrochloride) {} {} {} {} {} {} {} {} {} {LY} O-(4-Nitrobenzyl)hydroxylamine (hydrochloride) {} {} {} {} {} {} {} {} {} {} {LY} O-(4-Nitrobenzyl)hydroxylamine (hydrochloride) {} {} {} {} {} {} {} {} {} {} {} {LY} O-(4-Nitrobenzyl)hydroxylamine (hydrochloride) {} {} {} {} {} {} {} {} {} {} {} {} {
PubChem Substance ID	74967
Beilstein Registry Number	3709565
EC Number	218-228-6
Reaxys-RN	3709565
Chemical Name Translation	O-(4-硝基苄基)羟胺盐酸盐
InChIKey	LKCAFSOYOMFQSL-UHFFFAOYSA-N
LabNetwork Molecule ID	LN00147895
InChI	InChI=1S/C7H8N2O3.ClH/c8-12-5-6-1-3-7(4-2-6)9(10)11;/h1-4H,5,8H2;1H
Canonical SMILES	NOCC1=CC=C(C=C1)[N+]([O-])=O.Cl

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安全信息

Warnings IRRITANT

WGK Germany3

RTECSNC4400050

Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Storage condition 2-8°C {LY} 2-8°C Moisture & Light Sensitive {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-

Safety Statements

S22 Do not breathe dust 不要吸入粉尘；
S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；

Risk Statements

R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : >800 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JPMSAE Journal of Pharmaceutical Sciences.  (American Pharmaceutical Assoc.,
   2215 Constitution Ave., NW, Washington, DC 20037)  V.50-    1961-
   Volume(issue)/page/year: 59,1752,1970

GHS Symbol

Precautionary statements

P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
P264+P265
P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
P302+P352
P304+P340
P305+P351+P338
P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
P319
P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
P332+P313
P332+P317
P337+P313
P337+P317
P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
P362+P364
P403+P233
P405 Store locked up. 上锁保管。
P501 Dispose of contents/container to..… 处理内容物/容器.....

Hazard statements

H315 Causes skin irritation 会刺激皮肤
H319 Causes serious eye irritation 严重刺激眼睛
H335 May cause respiratory irritation 可能导致呼吸道刺激

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 5

H-bond Acceptors

H-bond Donors

LogP

其他信息

TCI Shanghai:O-(4-硝基苄基)羟胺盐酸盐[用于高效液相色谱标记] O-4-Nitrobenzylhydroxylamine Hydrochloride [for HPLC Labeling],>;99.0%(LC)(2086-26-2)
4-硝基苄基羟胺盐酸盐价格(试剂级):更新日期产品编号产品名称包装价格 2014/06/02 A5532 O-4-硝基苄基羟胺盐酸盐[用于高效液相色谱标记] O-4-Nitrobenzylhydroxylamine Hydrochloride [for HPLC Labeling] 5G 4590元 2014/06/02 A5532 O-4-硝基苄基羟胺盐酸盐[用于高效液相色谱标记] O-4-Nitrobenzylhydroxylamine Hydrochloride [for HPLC Labeling] 1G 1320元 2010/06/21 210120010 4-硝基苄基羟胺盐酸盐 O-(4-Nitrobenzyl)hydroxylamine hydrochloride 98% 1 GR 704元
用途一:衍生化试剂
敏感性:Moisture & Light Sensitive
图谱信息:4-硝基苄基羟胺盐酸盐(2086-26-2)核磁图( 13 CNMR) 4-硝基苄基羟胺盐酸盐(2086-26-2)核磁图( 1 HNMR) 4-硝基苄基羟胺盐酸盐(2086-26-2)Raman光谱 4-硝基苄基羟胺盐酸盐(2086-26-2)红外图谱(IR1) 4-硝基苄基羟胺盐酸盐(2086-26-2)质谱(MS) 4-硝基苄基羟胺盐酸盐(2086-26-2)红外图谱(IR2)
F:3-8-9
Sigma Aldrich:2086-26-2(sigmaaldrich)
Alfa Aesar:O-(4-硝基苄基)羟胺盐酸盐,98% O-(4-Nitrobenzyl)hydroxylamine hydrochloride, 98%(2086-26-2)
MOL 文件:2086-26-2.mol
Acros Organics:O-(4-硝基苄基)羟胺盐酸盐 O-(4-Nitrobenzyl)hydroxylamine hydrochloride, 98%(2086-26-2)