CAS 93-99-2 MFCD00003072-Benzoic Acid Phenyl Ester 苯甲酸苯酯 TAO{mole}

Benzoic Acid Phenyl Ester 苯甲酸苯酯

CAS 93-99-2 MFCD00003072

化学结构图

SMILES: O=C(Oc1ccccc1)c1ccccc1

化学属性

Mol. Formula	C13H10O2
Mol. Weight	198.22
Boiling Point	314.0±11.0°C at 760 mmHg
Melting Point	68-70°C
TSCA	Yes
Flash Point	298-299°C
Appearance	无色棱形结晶。熔点71℃，沸点314℃（299℃），相对密度1.235（31/4℃）。易溶于热乙醇，微溶于冷乙醇和乙醚，不溶于水。有草叶油味。
Density

别名和识别编码

Chemical Name	Benzoic Acid Phenyl Ester
MDL Number	MFCD00003072
CAS Number	93-99-2
Synonym	Phenyl benzoate {LY} Phenyl benzoate diphenylcarboxylate {} {LY} Phenyl benzoate {} {} {LY} Phenyl benzoate {} {} {} {LY} Phenyl benzoate {} {} {} {} {LY} Phenyl benzoate {} {} {} {} {} {LY} Phenyl benzoate {} {} {} {} {} {} {LY} Phenyl benzoate {} {} {} {} {} {} {} {LY} Phenyl benzoate {} {} {} {} {} {} {} {} {LY} Phenyl benzoate {} {} {} {} {} {} {} {} {} {LY} Phenyl benzoate {} {} {} {} {} {} {} {} {} {} {LY} Phenyl benzoate {} {} {} {} {} {} {} {} {} {} {} {LY} Phenyl benzoate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Phenyl benzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Phenyl benzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Phenyl benzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Phenyl benzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Phenyl benzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Phenyl be
PubChem Substance ID	7169
EC Number	202-293-2
Beilstein Registry Number	9,116
Merck Number	7275
Reaxys-RN	1566346
Chemical Name Translation	苯甲酸苯酯
Wiswesser Line Notation	RVOR
LabNetwork Molecule ID	LN00193140
InChI	InChI=1S/C13H10O2/c14-13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H
Canonical SMILES	O=C(OC1=CC=CC=C1)C2=CC=CC=C2

信息真实价格透明资金保障专业采购外包团队在线服务

品牌质保精细包装现货库存一流品牌服务

产品应用

该品在三氯化铝存在下加热至130℃，重排生成4-羟基二苯酮，用作有机合成中间体，用于生产医药等产品。

安全信息

GHS Symbol

WGK Germany3

Hazard statements

H302 Harmful if swallowed 吞食有害
H315 Causes skin irritation 会刺激皮肤
H317 May cause an allergic skin reaction 可能导致皮肤过敏

Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves

RTECSDH6299500

Signal word Warning

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；
S36 Wear suitable protective clothing 穿戴适当的防护服；

Risk Statements

R22 Harmful if swallowed 吞咽有害
R38 Irritating to skin 刺激皮肤

Hazard Codes Xn

Precautionary statements

P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
P272 Contaminated work clothing should not be allowed out of the workplace. 污染的工作服不得带出工作场所。
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。
P301+P312
P301+P312+P330
P301+P317
P302+P352
P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
P330 Rinse mouth. 漱口
P332+P313
P332+P317
P333+P313
P333+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
P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
P501 Dispose of contents/container to..… 处理内容物/容器.....

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1225 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   YKKZAJ Yakugaku Zasshi.  Journal of Pharmacy.  (Nippon Yakugakkai, 2-12-15
   Shibuya, Shibuya-ku, Tokyo 150, Japan)  No.1-    1881-
   Volume(issue)/page/year: 89,1179,1969

Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store a

UN Number

Packing Group

其他信息

上游原料:苯甲酰氯
下游产品:4-羟基-二苯甲酮
Acros Organics:苯甲酸苯酯 Phenyl benzoate, 99%(93-99-2)
TCI Shanghai:苯甲酸苯酯 Phenyl Benzoate,>;99.0%(GC)(93-99-2)
苯甲酸苯酯价格(试剂级):更新日期产品编号产品名称包装价格 2014/06/02 B0075 苯甲酸苯酯 Phenyl Benzoate 25G 144元 2014/06/02 B0075 苯甲酸苯酯 Phenyl Benzoate 500G 1320元 2010/06/21 162061000 苯甲酸苯酯 Phenyl benzoate 99% 100 GR 424元
用途二:用于羟基化二苯酮的合成
Alfa Aesar:苯甲酸苯酯,99% Phenyl benzoate, 99%(93-99-2)
图谱信息:苯甲酸苯酯(93-99-2)核磁图( 1 HNMR) 苯甲酸苯酯(93-99-2)质谱(MS) 苯甲酸苯酯(93-99-2)核磁图( 13 CNMR) 苯甲酸苯酯(93-99-2)红外图谱(IR2) 苯甲酸苯酯(93-99-2)Raman光谱苯甲酸苯酯(93-99-2)红外图谱(IR1)
方法一:由苯甲酰氯与苯酚反应而得。将苯酚溶解于吡啶中，滴加苯甲酰氯，控制温度不超过50℃，加毕，于120℃反应30min。冷却后加水析出结晶，过滤，洗涤干燥即得苯甲酸苯酯。收率93%。上述酰化反应也可将苯酚钠盐溶液与苯甲酰氯在室温反应0.5h，经过滤、水洗即得苯甲酸苯酯，精制进可采用乙醇重结晶，收率75-80%。
易溶于热乙醇，微溶于冷乙醇和乙醚，不溶于水,有草叶油味。
Sigma Aldrich:93-99-2(sigmaaldrich)
用途三:该品在三氯化铝存在下加热至130℃，重排生成4-羟基二苯酮，用作有机合成中间体，用于生产医药等产品。
MOL 文件:93-99-2.mol
用途一:用于制药及有机合成