Basic information
- CAS
6313-54-8- Standard SMILES
O=C(O)c1ccnc(Cl)c1- InChIKey
QXCOHSRHFCHCHN-UHFFFAOYSA-N- Molecular formula
- C6H4ClNO2
- Average molar mass
- 157.55 g/mol
- Monoisotopic mass
- 156.99305605
Names & identifiers
- Preferred name
- 2-Chloroisonicotinic acid
- IUPAC
- 2-chloropyridine-4-carboxylic acid
- English name
- 2-Chloro-4-pyridinecarboxylic acid
- Molecular formula
- C6H4ClNO2
- Molecular weight
- 157.55
Names & synonyms
2-Chloroisonicotinic acid6313-54-8DTXSID60284985RefChem:470465DTXCID10236136613-143-42-Chloropyridine-4-carboxylic acid2-Chloro-4-pyridinecarboxylic acid2-ChloroisonicotinicacidMFCD001914024-Pyridinecarboxylic acid, 2-chloro-STR06289
Show more names
BUTTPARK 43\57-03TIMTEC-BB SBB004003RARECHEM AL BO 08402-Chloro-4-pyridinec2-ChloroisonicotinicChloroisonicotinicAcidoropyridine-4-carboxyL
2-chloro-pyridine-4-carboxylic acidNSC 40139SB10308F0001-1716Z1353021542-Chloro-4-pyridinecarboxylic Acid; 2-Chloropyridine-4-carboxylic Acid; 6-Chloroisonicotinic Acid; NSC 40139ChemDiv3_0101584-Carboxy-2-chloropyridine
Database identifiers
- CAS
6313-54-8- PubChem CID
- 236985
- DTXSID
DTXSID60284985- ChEMBL
CHEMBL1886959- EC Number
- 613-143-4
- Nikkaji
- J534.058F
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 140
Physicochemical properties
- Melting point
- 246 °C · 246 °C (dec.)(lit.)
- Boiling point
- 417.7 · 417.7±25.0 °C(Predicted)
- Density
- 1.47 · 1.470±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- DMSO, Methanol
- pka
- 3 · 3.00±0.10(Predicted)
- form
- Crystalline Powder
- color
- White to beige
- BRN
- 115861 · 115861
- InChI
- InChI=1S/C6H4ClNO2/c7-5-3-4(6(9)10)1-2-8-5/h1-3H,(H,9,10)
- InChIKey
- QXCOHSRHFCHCHN-UHFFFAOYSA-N
- SMILES
- C1(Cl)=NC=CC(C(O)=O)=C1
- CAS DataBase Reference
- 6313 · 6313-54-8(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36-36/37/39
- RIDADR
- 2811 · UN2811
- WGK Germany
- 3 · 3
- HazardClass
- IRRITANT
- HS Code
- 29333990 · 29333990
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): 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 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- ridadr
- UN2811
- hs_code
- 29333990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36-36/37/39
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesUsed in monocomposite films.
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]
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]
T&W GROUP021-61551611 13296011611 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
北京安司莫森技术有限公司010-82954736 13391601435 · [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]
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上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
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江阴市巨丰生物科技有限公司0519-89891966 13906113265
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]
上海泰坦科技股份有限公司400-6009262 15618770481 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
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武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
衡水瑞森化工科技有限公司0318-8888981 13785822979
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孝感深远化工有限公司15527621225; 15527621225 · [email protected]
济南精合医药科技有限公司0531-88811783 · [email protected]
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四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
湖南汇百侍生物科技有限公司0731-85526065 13308475853 · [email protected]
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
江阴安博生物医药有限公司086-010-62176588 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [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]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [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]
Labex Corporation+91-11-26135922 or +91-11-46160359 · [email protected]
越林试剂021-62960152 · [email protected]
Related reactions
154 records
Compound notes
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