Basic information
- CAS
41667-95-2- Standard SMILES
O=C(O)c1cnc(Cl)c(Cl)c1- InChIKey
RNRLTTNKVLFZJS-UHFFFAOYSA-N- Molecular formula
- C6H3Cl2NO2
- Average molar mass
- 192 g/mol
- Monoisotopic mass
- 190.9540837
Overview
for treatment of Alzheimer's disease; structure in first source
Names & identifiers
- Preferred name
- 5,6-Dichloronicotinic acid
- IUPAC
- 5,6-dichloropyridine-3-carboxylic acid
- English name
- 5,6-Dichloronicotinic acid
- Molecular formula
- C6H3Cl2NO2
- Molecular weight
- 192
Names & synonyms
5,6-Dichloronicotinic acid41667-95-2NSC-63885NJ6BKW4XSWDTXSID20289779RefChem:101138DTXCID602409255,6-Dichloropyridine-3-carboxylic acid5,6-Dichloro-3-pyridinecarboxylic AcidMFCD000751812,3-dichloro-5-carboxypyridine3-PYRIDINECARBOXYLIC ACID, 5,6-DICHLORO-
Show more names
2,3-dichloropyridine-5-carboxylic acid5,6-DichL5,6-DichloroTIMTEC-BB SBB003623Avatrhopal Impurity 455,6-DICHLORONICOTINIC AAvatrombopag Impurity 105,6-DichloronicotinicaciAvatroposide impurities16
5,6-DichloronicotinicacidNSC638855.6-dichloronicotinic acid5,6-Dichloro-nicotinic acidCL0206NSC 638855,6-Dichloropyridine-3-carboxylicacidHY-W007398
Database identifiers
- CAS
41667-95-2- PubChem CID
- 247987
- DTXSID
DTXSID20289779- UNII
- NJ6BKW4XSW
- EC Number
- 609-951-1
- Nikkaji
- J89.416H
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- Melting point
- 164 · 164-168 °C(lit.)
- Boiling point
- 342.1 · 342.1±37.0 °C(Predicted)
- Density
- 1.612 · 1.612±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- DMSO (Slightly), Methanol (Slightly)
- pka
- 2.87 · 2.87±0.10(Predicted)
- form
- Powder
- color
- White to beige to tan
- BRN
- 383740 · 383740
- InChI
- InChI=1S/C6H3Cl2NO2/c7-4-1-3(6(10)11)2-9-5(4)8/h1-2H,(H,10,11)
- InChIKey
- RNRLTTNKVLFZJS-UHFFFAOYSA-N
- SMILES
- C1=NC(Cl)=C(Cl)C=C1C(O)=O
- CAS DataBase Reference
- 41667 · 41667-95-2(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 301 · P301+P312+P330
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 22 · 22-24/25-36-26
- WGK Germany
- 3 · 3
- HazardClass
- IRRITANT
- HS Code
- 29339900 · 29339900
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 Oral · Acute Tox. 4 Oral
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (98.4%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 64 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (98.4%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 29339900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 22-24/25-36-26
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P301+P312+P330
Chemistry & industry
Applications
Uses5,6-Dichloronicotinic acid is a dihalonicotinic acid. It is used in the preparation of 5-chloro-6-iodonicotinic acid by iodine displacement.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
上海德默医药科技有限公司400-021-7337 2355568890 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
浙江泽天精细化工有限公司18957127338 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
上海攀鸿化工科技有限公司021-56491756 13512199871 · [email protected]
杭州东帆化学有限公司86-0571-85151182
山东西亚化学有限公司13355009207 13355009207 · [email protected]
沈阳天火同人化工有限公司（中孚大有医药）+86(24) 31938773(O) · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
武汉爱瑞克科技有限公司027- 51832457 94518350
南京维奥化工有限公司Please Send Email 18652950785 · [email protected]
百盛HK进出口有限公司+86-18068513926
常州琬瑶生物科技有限公司0519-89185693 15312551983 · [email protected]
天津津御达化工科技有限公司022-58013646 13011382049 · [email protected]
苏州思变化学技术有限公司0512-65617459 18915409046 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
上海特伯化学科技有限公司+86-21-60341587 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
阜新奥瑞凯精细化工有限公司（沈阳同元素）+86-024-83607930 18640359690 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
上海灏云化工科技有限公司021-68367562 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
苏州月朗星稀化学有限公司0512-62857507 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
成都克莱蒙医药科技有限公司028-87608726 13540107218 · [email protected]
上海高朗化工科技有限公司021-57340939 18017297327;18916191449 · [email protected]
上海石洋化工有限公司021-56795766 · [email protected]
天津安浩生物科技有限公司[email protected]
上海洽凡生化科技有限公司+86-021-61654350 · [email protected]
Related reactions
126 records
Compound notes
Loading…