Basic information
- CAS
58689-43-3- Standard SMILES
CN1CCC(CCl)C1- InChIKey
JHHRQVTUROCUDM-UHFFFAOYSA-N- Molecular formula
- C6H12ClN
- Average molar mass
- 133.62 g/mol
- Monoisotopic mass
- 133.0658271
Names & identifiers
- Preferred name
- 3-(Chloromethyl)-1-methylpyrrolidine
- IUPAC
- 3-(chloromethyl)-1-methylpyrrolidine
- English name
- CBI-BB ZERO/004820
- Molecular formula
- C6H12ClN
- Molecular weight
- 133.62
Names & synonyms
3-(chloromethyl)-1-methylpyrrolidine58689-43-3DTXSID50409443RefChem:275261DTXCID80360295873-884-63-Chloromethyl-1-methyl-pyrrolidineMFCD07800306Pyrrolidine, 3-(chloromethyl)-1-methyl-SCHEMBL28718CBI-BB ZERO/004820ALBB-017756
Show more names
TIMTEC-BB SBB012983CHEMBRDG-BB 40181731-METHYL-3-CHLOROMETHYLPYRROLIDINEN-Methyl-3-(chloroMethyl)pyrrolidine3-(Chloromethyl)-1-methylpyrrolidine hydrochloride3-(chloromethyl)-1-methylpyrrolidine(SALTDATA: FREE)
SBB012983STK6890673-(chloromethyl)-1-methyl-pyrrolidineAKOS005601346BS-38220DB-072511ST4130723CS-0300957
Database identifiers
- CAS
58689-43-3- PubChem CID
- 5200328
- DTXSID
DTXSID50409443- EC Number
- 873-884-6
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 74.9
Physicochemical properties
- Boiling point
- 159 ℃ · 159℃
- Density
- 1.01 · 1.010
- Flash point
- 50 ℃ · 50℃
- pka
- 9.82 · 9.82±0.40(Predicted)
- form
- solid
- InChI
- 1S/C6H12ClN/c1-8-3-2-6(4-7)5-8/h6H,2-5H2,1H3
- InChIKey
- JHHRQVTUROCUDM-UHFFFAOYSA-N
- SMILES
- ClCC1CN(C)CC1
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 225 · H225-H302-H314-H332
- Precautionary statements
- 210 · P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501-P264-P270-P301+P312-P330-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P261-P271-P304+P340-P312
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Safety data
- wgk
- WGK 3
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H225-H302-H314-H332
- Precautionary statements
- P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501-P264-P270-P301+P312-P330-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P261-P271-P304+P340-P312
Chemistry & industry
Suppliers14 total
北京炎礼生物科技有限公司18600731423 · [email protected]
Young Lively PharminBlock Co.,Ltd18600731423 · [email protected]
江阴安博生物医药有限公司086-010-62176588 · [email protected]
上海特伯化学科技有限公司+86-21-60341587 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
常州捷展化工技术有限公司15861130028 · [email protected]
箴德化工科技（上海）有限公司15601952568 · [email protected]
济南三志医药科技有限公司15053191807 · [email protected]
成都康悦慧蓝医药技术有限公司028-81092800 17323275954 · [email protected]
郑州艾克姆化工有限公司037163312495 13303845143 · [email protected]
北京索美科医药科技有限公司13464564313 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
郑州安慕斯化工产品有限公司15981811963 18737195735 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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