ChemicalBook--->CAS DataBase List--->82477-67-6

82477-67-6

82477-67-6 Structure

82477-67-6 Structure
IdentificationBack Directory
[Name]

3-CHLORO-5-METHOXY-BENZOIC ACID
[CAS]

82477-67-6
[Synonyms]

Benzoicacid,3-chloro-5-Methoxy
3-CHLORO-5-METHOXY-BENZOIC ACID
3-Chloro-5-methoxybenzoic acid 97%
3-Chloro-5-methoxy-benzoic acid≥ 97% (GC)
3-Carboxy-5-chloroanisole, 5-Chloro-m-anisic acid
[Molecular Formula]

C8H7ClO3
[MDL Number]

MFCD01317994
[MOL File]

82477-67-6.mol
[Molecular Weight]

186.59
Chemical PropertiesBack Directory
[Melting point ]

172-176 °C
[Boiling point ]

323.1±22.0 °C(Predicted)
[density ]

1.352±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[form ]

powder
[pka]

3.71±0.10(Predicted)
[color ]

Off white (hint of dark cream & peach)
[InChI]

1S/C8H7ClO3/c1-12-7-3-5(8(10)11)2-6(9)4-7/h2-4H,1H3,(H,10,11)
[InChIKey]

RRVHCVOVXPMKGF-UHFFFAOYSA-N
[SMILES]

COc1cc(Cl)cc(c1)C(O)=O
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

22-36/37/38
[Safety Statements ]

26-36/37
[RIDADR ]

UN 2811 6.1/PG 3
[WGK Germany ]

3
[HazardClass ]

6.1
[PackingGroup ]

[HS Code ]

29163990
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Acute Tox. 3 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Chemical Properties]

White powder
[Uses]

3-chloro-5-methoxybenzoic acid
[Synthesis]

Carbon dioxide

124-38-9

3,5-Dichloroanisole

33719-74-3

3-CHLORO-5-METHOXY-BENZOIC ACID

82477-67-6

The general procedure for the synthesis of 3-chloro-5-methoxybenzoic acid from carbon dioxide and 3,5-dichloroanisole is as follows: the magnesium scraps (Fluka purum used for the Grignard reaction) are first pre-treated: the scraps are placed in a glass sintered funnel, 0.1 M hydrochloric acid is added and stirred with a glass rod for a few seconds, followed by a wash with three parts water to remove the acid. Finally, the magnesium chips were washed with two parts of acetone and bottled. Next, RedAl (1 g, 70% wt. of toluene solution) was added to dry tetrahydrofuran (100 mL, 99.95%) for drying. Pretreated magnesium shavings (5 g, 200 mmol) were placed in a round-bottomed flask and rinsed three times with nitrogen. 3,5-Dichloroanisole (26 g, 146 mmol) was dissolved in dry tetrahydrofuran (100 mL) and dibromoethane (1.8 g, 10 mmol) was added. The reaction mixture was flushed with nitrogen and refluxed for 2 hours. The heating was stopped and dry ice (10 g) was added in batches over 2 min. After all the dry ice was dissolved, the reaction mixture was poured into ice containing 2 M hydrochloric acid (400 mL). Post-treatment by ether (300 mL) extraction resulted in 11.2 g of 3-chloro-5-methoxybenzoic acid, 60.2 mmol in 41% yield.1H-NMR (500 MHz; acetone-d6): δ 7.57 (m, 1H), 7.49 (m, 1H), 7.23 (m, 1H), 3.91 (s, 3H).

[References]

[1] Patent: WO2003/101956, 2003, A1. Location in patent: Page 55
[2] Journal of Medicinal Chemistry, 1984, vol. 27, # 5, p. 577 - 585
Spectrum DetailBack Directory
[Spectrum Detail]

3-CHLORO-5-METHOXY-BENZOIC ACID(82477-67-6)1HNMR
82477-67-6 suppliers list
Company Name: Capot Chemical Co.,Ltd.
Tel: +86-(0)57185586718; +8613336195806 , +8613336195806
Website: http://www.capot.com
Company Name: Changzhou Ansciep Chemical Co., Ltd.
Tel: +86 519 86305871
Website: www.chemicalbook.com/ShowSupplierProductsList31173/0_EN.htm
Company Name: Alchem Pharmtech,Inc.
Tel: 8485655694
Website: www.chemicalbook.com/ShowSupplierProductsList454175/0_EN.htm
Company Name: CONIER CHEM AND PHARMA LIMITED
Tel: +8618523575427 , +8618523575427
Website: http://www.conier.com/
Company Name: career henan chemical co
Tel: +86-0371-86658258 +8613203830695 , +8613203830695
Website: www.coreychem.com
Company Name: Fuxin Pharmaceutical
Tel: +86-021-021-50872116 +8613122107989 , +8613122107989
Website: http://www.fuxinpharm.com
Company Name: Guangzhou Yuheng Pharmaceutical Technology Co., Ltd
Tel: +8613580539051 , +8613580539051
Website: www.yuhengpharm.com
Company Name: Win-Win chemical CO., Limited
Tel: +86-0086-577-64498589 +86-15355981851 , +86-15355981851
Website: https://www.win-winchemical.com/
Company Name: Hefei Hirisun Pharmatech Co., Ltd
Tel: +8615056975894 , +8615056975894
Website: www.hirisunpharm.com
Company Name: Dayang Chem (Hangzhou) Co.,Ltd.
Tel: +86-0571-88938639 +8617705817739 , +8617705817739
Website: www.dycnchem.com/
Company Name: CR Corporation Limited
Tel: +8613062833949 , +8613062833949
Website: http://www.crcorporation.cn/
Company Name: Changzhou Anxuan Chemical Co., Ltd
Tel: +86-0519-89882563 +86-18961279162 , +86-18961279162
Website: http://www.anxuanchem.com
Company Name: Hefei TNJ Chemical Industry Co.,Ltd.
Tel: +86-0551-65418684 +8618949823763 , +8618949823763
Website: www.tnjchem.com
Company Name: Aromsyn Co., Ltd.
Tel: +86-0571-85585865 +8613336024896 , +8613336024896
Website: https://www.aromsyn.com/
Company Name: Hebei Chuanghai Biotechnology Co., Ltd
Tel: +8615531151365 , +8615531151365
Website: www.chuanghaibio.com
Company Name: PT CHEM GROUP LIMITED
Tel: +86-85511178;
Website: https://www.chemicalbook.com/manufacturer/henan-lihao-chem-plant-25020/
Company Name: Hu Bei Jiutian Bio-medical Technology CO.,Ltd
Tel: 027-88013699 17354350817 , 17354350817
Website: www.jiutian-bio.com
Company Name: Shanghai Acmec Biochemical Technology Co., Ltd.
Tel: +86-18621343501; +undefined18621343501 , +undefined18621343501
Website: http://www.acmec.com.cn/
Tags:82477-67-6 Related Product Information
4093-31-6 6280-89-3 62936-23-6