CAS 585-76-2 MFCD00002487-3-Bromobenzoic Acid 3-溴苯甲酸 -LabNovo

3-Bromobenzoic Acid 3-溴苯甲酸

CAS 585-76-2 MFCD00002487

化学结构图

SMILES: O=C(O)c1cccc(Br)c1

化学属性

Mol. Formula	C7H5BrO2
Mol. Weight	201.02
Density	1.701
Melting Point	154-158°C
TSCA	Yes
Solubility	可溶于乙醚、乙醇、丙酮与热水。
Stability	对光敏感
Boiling Point	308.2°C at 760 mmHg
Appearance	无色针状结晶。熔点155℃，沸点>280℃，相对密度1.845（20℃）。溶于醇和醚，不溶于水。

别名和识别编码

Chemical Name	3-Bromobenzoic Acid
Synonym	3-Bromobenzoic acid {LY} 3-Bromobenzoic acid {} {LY} 3-Bromobenzoic acid {} {} {LY} 3-Bromobenzoic acid {} {} {} {} {} {} {LY} 3-Bromobenzoic acid {} {} {} {} {LY} 3-Bromobenzoic acid {} {} {} {} {} {LY} 3-Bromobenzoic acid {} {} {} {} {} {} {LY} 3-Bromobenzoic acid {} {} {} {} {} {} {} {LY} 3-Bromobenzoic acid {} {} {} {} {} {} {} {} {LY} 3-Bromobenzoic acid {} {} {} {} {} {} {} {} {} {LY} 3-Bromobenzoic acid {} {} {} {} {} {} {} {} {} {} {LY} 3-Bromobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Bromobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Bromobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Bromobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Bromobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Bromobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Bromobenzoic acid {} {} {} {} {} {} {} {} {}
CAS Number	585-76-2
EC Number	209-562-3
Beilstein Registry Number	2041792
MDL Number	MFCD00002487
PubChem Substance ID	87563570
Reaxys-RN	2041792
Chemical Name Translation	3-溴苯甲酸
LabNetwork Molecule ID	LN00008309
InChI	InChI=1S/C7H5BrO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)
Canonical SMILES	O=C(O)C1=CC=CC(Br)=C1

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产品应用

Usually used as test solute in the determination of acidity constants by capillary zone electrophoresis, internal standard to study the retention mechanisms of an unmodified and a hydroxylated polystyrene-divinylbenzene polymer by solid-phase extraction.And also used in synthesis of N-(1,1-dimethyl-2-hydroxyethyl)-3-bromobenzamide.

安全信息

Signal word Warning

GHS Symbol

WGK Germany3

Safety Statements

S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
S36 Wear suitable protective clothing 穿戴适当的防护服；
S37 Wear suitable gloves 戴适当手套；
S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护；

Risk Statements

R36 Irritating to eyes 刺激眼睛
R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
R37/38 Irritating to respiratory system and skin 对呼吸系统和皮肤有刺激性

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。
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+P350
P302+P352
P302+P352+P332+P313+P362+P364
P305+P351+P338
P305+P351+P338+P337+P313
P332+P313
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

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

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

Hazard Codes Xi

Storage condition 2-8°C {LY} 2-8°C Store at room temperature {} {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} 2-8°

其他信息

用途二:有机合成中间体。
Alfa Aesar:3-溴苯甲酸,98+% 3-Bromobenzoic acid, 98+%(585-76-2)
MOL 文件:585-76-2.mol
图谱信息:3-溴苯甲酸(585-76-2)红外图谱(IR3) 3-溴苯甲酸(585-76-2)Raman光谱 3-溴苯甲酸(585-76-2)红外图谱(IR2) 3-溴苯甲酸(585-76-2)质谱(MS) 3-溴苯甲酸(585-76-2)红外图谱(IR1)
上游原料:高锰酸钾 --> 3-溴甲基苯
溶于醇和醚，不溶于水。
Hazard Note:Irritant
Acros Organics:间溴苯甲酸 3-Bromobenzoic acid, 99%(585-76-2)
TCI Shanghai:3-溴苯甲酸 3-Bromobenzoic Acid,>;98.0%(GC)(T)(585-76-2)
MSDS 信息:3-Bromobenzoic acid(585-76-2).msds
下游产品:3-溴苯甲酸乙酯
3-溴苯甲酸价格(试剂级):更新日期产品编号产品名称包装价格 2011/08/23 LA1260601 3-溴苯甲酸;间溴苯甲酸;间溴安息香酸 25g 528元 2011/04/16 B0551 3-溴苯甲酸 3-Bromobenzoic Acid 250G 3560元 2011/04/16 B0551 3-溴苯甲酸 3-Bromobenzoic Acid 25G 640元
用途一:用作有机合成试剂
Sigma Aldrich:585-76-2(sigmaaldrich)
方法一:由间溴甲苯经高锰酸钾氧化而得。将间溴甲苯、氢氧化钾及水混合，加热至沸，慢慢加入高锰酸钾，加完后回流反应4h。经过滤酸化，再过滤得粗品。然后在乙醇中用氨水溶解，用盐酸酸化，过滤，水洗得成品。