Basic information
- CAS
3099-31-8- Standard SMILES
ClCc1cccnc1- InChIKey
CNQCWYFDIQSALX-UHFFFAOYSA-N- Molecular formula
- C6H6ClN
- Average molar mass
- 127.57 g/mol
- Monoisotopic mass
- 127.01887687
Overview
RN given for parent cpd; structure given in first source
Names & identifiers
- Preferred name
- 3-(Chloromethyl)pyridine
- IUPAC
- 3-(chloromethyl)pyridine
- English name
- 3-(Chloromethyl)pyridine
- Molecular formula
- C6H6ClN
- Molecular weight
- 127.57
Names & synonyms
3-(Chloromethyl)pyridine3099-31-83-Picolyl chloride3-Pyridylmethyl chloridePYRIDINE, 3-(CHLOROMETHYL)-beta-Picoline chloride8QM5JL9CFTDTXSID70438253-ClMePRefChem:92593DTXCID5023825nicotinyl chloride
Show more names
AKOS BBS-00006397Rupatadine Impurity 24Indinavir sulfate EP Impurity F3-(CHLOROMETHYL)PYRIDINE ISO 9001：2015 REACHIndinavir Impurity 6 （Indinavir EP Impurity F)
.beta.-Picoline chloride3-chloromethylpyridinealpha-Chloro-3-picoline3-picolylchloride3-Picoline, alpha-chloro-UNII-8QM5JL9CFT3-(chloromethyl)-pyridineBRN 0107714
Database identifiers
- CAS
3099-31-8- PubChem CID
- 18358
- DTXSID
DTXSID7043825- ChEMBL
CHEMBL3303788- UNII
- 8QM5JL9CFT
- Nikkaji
- J107.172F
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 65.5
Experimental & physicochemical properties
Collision Cross Section123.8 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID6020309]
Physicochemical properties
- Boiling point
- 210 · 210.0±15.0 °C(Predicted)
- Density
- 1.156 · 1.156±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- pka
- 4.46 · 4.46±0.10(Predicted)
- FDA UNII
- 8 QM5JL9CFT · 8QM5JL9CFT
- HS Code
- 2933399990 · 2933399990
Safety & regulation
Safety data
- hs_code
- 2933399990
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers24 total
宁波振岳医药科技有限公司19817745290 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Syntechem Co.,Ltd[email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
Moxin Chemicals+86-17320513646 +86-17320513646 · [email protected]
Shanghai Hanhong Scientific Co., Ltd.+undefined17612118332 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [email protected]
湖北丽都新材料科技有限公司19307245857 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
深圳摩科生化科技有限公司18627923403 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
苏州诺行贸易有限公司0512-65816829 18662214788 · [email protected]
湖北摩科化学有限公司18627753421; 18627756402 · [email protected]
Hefei Hirisun Pharmatech Co., Ltd+8615056975894 · [email protected]
上海肯恩化学科技有限公司13701870891; 02152215958 · [email protected]
ANHUI WITOP BIOTECH CO., LTD+8618071025641 · [email protected]
宁波振岳医药科技有限公司0086-19817745290; 19817745290 · [email protected]
宝鸡缔都医药化工有限公司029-029-81148929 17792602132 · [email protected]
河南威梯希化工科技有限公司0371-55135753 18003832934 · [email protected]
Related reactions
208 records
Compound notes
Loading…