CAS 100-13-0 MFCD00041254-4-Nitrostyrene 4-硝基苯乙烯 TAO{mole}

4-Nitrostyrene 4-硝基苯乙烯

CAS 100-13-0 MFCD00041254

化学结构图

SMILES: C=Cc1ccc([N+](=O)[O-])cc1

化学属性

Mol. Formula	C8H7NO2
Mol. Weight	149
Boiling Point	120°/10mm
Density	1.17
Melting Point	20
Flash Point	109°(228°F)
TSCA	No

别名和识别编码

Chemical Name	4-Nitrostyrene
CAS Number	100-13-0
Alfabeta Name	NITROVINYLBENZENE 14---
MDL Number	MFCD00041254
EC Number	250-023-7
Beilstein Registry Number	5(3)1180
Reaxys-RN	1306673
PubChem Substance ID	87573829
Chemical Name Translation	4-硝基苯乙烯
Synonym	4-NITROSTYRENE(STABILIZED WITH TBC) p-nitro-styren 1-ethenyl-4-nitro-benzen 4-NITROSTYRENE 1-(p-Nitrophenyl)ethene 4-硝基苯乙烯 1-NITRO-4-VINYL-BENZENE 1-Vinyl-4-nitrobenzene 1-ethenyl-4-nitrobenzene 4-Nitrostyrene, GC 97% p-Nitrostyrene 4-Nitrostyrene 4-Ethenyl-1-nitrobenzene 1-Ethenyl-4-nitrobenzene Benzene, 1-ethenyl-4-nitro- 对硝基苯乙烯
InChIKey	YFZHODLXYNDBSM-UHFFFAOYSA-N
LabNetwork Molecule ID	LN00150310
InChI	InChI=1S/C8H7NO2/c1-2-7-3-5-8(6-4-7)9(10)11/h2-6H,1H2

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安全信息

Warnings IRRITANT

Signal word

GHS Symbol

WGK Germany3

Safety Statements

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
R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害

Precautionary statements

P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
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+P332+P313+P362+P364
P305+P351+P338+P337+P313
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

RTECSWL5470000

Storage condition <0°C <;0 Freezer Light Sensitive

Hazard statements

H315 Causes skin irritation 会刺激皮肤

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 100 ug/plate
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 188,267,1987

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 3

Lipinski's Rule of 5

H-bond Acceptors

Rotatable Bonds

H-bond Donors

LogP

其他信息

4-硝基苯乙烯价格(试剂级):更新日期产品编号产品名称包装价格 2014/06/02 N0503 4-硝基苯乙烯(含稳定剂TBC) 4-Nitrostyrene (stabilized with TBC) 5G 1500元 2014/06/02 N0503 4-硝基苯乙烯(含稳定剂TBC) 4-Nitrostyrene (stabilized with TBC) 1G 545元
上游原料:乙醇 --> 甲醇 --> 乙醚 --> 四氢呋喃 --> 三氯甲烷 --> 吡啶 --> 碘甲烷 --> 三苯基膦 --> 丙二酸 --> 铜 --> 喹啉 --> 1,8-二氮杂双环[5.4.0]十一碳-7-烯 --> 对硝基苯甲醛 --> 四甲基胍
检测方法:HPLC,GC
TCI Shanghai:对硝基苯乙烯(含稳定剂叔丁基邻苯二酚) 4-Nitrostyrene (stabilized with TBC),>;95.0%(GC)(100-13-0)
MOL 文件:100-13-0.mol
Sigma Aldrich:100-13-0(sigmaaldrich)