Basic information
- CAS
7250-67-1- Standard SMILES
Cl.ClCCN1CCCC1- InChIKey
FSNGFFWICFYWQC-UHFFFAOYSA-N- Molecular formula
- C6H13Cl2N
- Average molar mass
- 170.08 g/mol
- Monoisotopic mass
- 169.04250478
Names & identifiers
- Preferred name
- 1-(2-Chloroethyl)pyrrolidine hydrochloride
- IUPAC
- 1-(2-chloroethyl)pyrrolidine;hydrochloride
- English name
- 1-(2-Chloroethyl)pyrrolidine Hydrochloride
- Molecular formula
- C6H13Cl2N
- Molecular weight
- 170.08
Names & synonyms
1-(2-Chloroethyl)pyrrolidine hydrochloride7250-67-1N-(2-Chloroethyl)pyrrolidine hydrochloridePyrrolidine, 1-(2-chloroethyl)-, hydrochloridePyrrolidinoethyl chloride, hydrochlorideUNII-YYQ1H343R5EINECS 230-660-7NSC 30132YYQ1H343R5NSC-30132DTXSID8022248RefChem:74118
Show more names
2-Pyrrolidinoethyl2-chloroethylpyrrolidineN-ChloroethylpyrprolidineN-CHLOROETHYL PYRROLIDINE2-CHLOROETHYLPYRROLIDINE HCL2-ChloroethylpyrrolidineHcl98%2-Chloroethylpyrrolidine Hcl 98%N-(2-Chloroethyl)pyrrolidine HClN-ChloropyrrolidineHydrochloride
DTXCID0022487050-67-1MFCD000127182-Chloroethylpyrrolidine hydrochloride1-(2-chloroethyl)pyrrolidine;hydrochloride1-(2-chloroethyl)pyrrolidine.hcl1-(2-Chloroethyl)pyrrolidine HCl2-Chloroethylpyrrolidinehydrochloride
Database identifiers
- CAS
7250-67-1- PubChem CID
- 81668
- DTXSID
DTXSID8022248- ChEMBL
CHEMBL4516939- UNII
- YYQ1H343R5
- EC Number
- 230-660-7
Properties
Computed structural properties
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 59.5
Physicochemical properties
- Melting point
- 167 · 167-170 °C(lit.)
- Boiling point
- 237 °C · 237°C(lit.)
- Density
- 0.4 · 0.4[at 20℃]
- vapor pressure
- 1.64 hPa · 1.64hPa at 25℃
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- Chloroform (Slightly), Water (Slightly)
- form
- Crystalline Powder or Crystals
- color
- White to off-white
- Water Solubility
- Soluble
- Sensitive
- Hygroscopic
- BRN
- 3677061 · 3677061
- InChI
- InChI=1S/C6H12ClN.ClH/c7-3-6-8-4-1-2-5-8;/h1-6H2;1H
- InChIKey
- FSNGFFWICFYWQC-UHFFFAOYSA-N
- SMILES
- N1(CCCl)CCCC1.[H]Cl
- LogP
- 0.736 at · 0.736 at 25℃
- CAS DataBase Reference
- 7250 · 7250-67-1(CAS DataBase Reference)
- FDA UNII
- 1 H343R5 · YYQ1H343R5
- 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,Xn
- Risk Statements
- 36 · 36/37/38-20/22
- Safety Statements
- 26 · 26-36-37/39
- WGK Germany
- 3 · 3
- RTECS
- 703150 · UY0703150
- HS Code
- 29339900 · 29339900
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
- REACH Registrations
- Inactive
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (17.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 51 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationStatus: Cease Manufacture Update: 02-02-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/19581
Hazard Classes and CategoriesAcute Tox. 4 (17.6%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- rtecs
- UY0703150
- hs_code
- 29339900
- risk_code
- 36/37/38-20/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- safety_code
- 26-36-37/39
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- REACH Registrations
- Inactive
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses1-(2-Chloroethyl)pyrrolidine Hydrochloride is a haloalkyl-substituted pyrrolidine used in the preparation of various pharmaceutical compounds, such as the estrogen receptor antagonist Nafoxidine (N212800) and its analogs.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
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]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
河北展药生物科技有限公司15369953316 +8615369953316 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Hunan Jibang Biological Technology Co., LTD13776644403 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
上海弘顺生物科技有限公司15901914505 · [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]
衢州明锋化工有限公司0570-3062502 13819002126;13819008176 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [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]
南京圣亿来化工有限公司19951936396 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
合肥天健化工有限公司551-65418679 15856988503;15837135945 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
苏州启航生物科技有限公司18662190603;18151111370 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
上海耐士化工科技有限公司400-188-0725 +86 21 34310725 13611771617
天津希恩思生化科技有限公司400 638 7771 · [email protected]
Syntor Fine Chemicals Ltd.+44 (0) 1928 579865 · [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]
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]
深圳康特腾科技有限公司86-0755-86635001 · [email protected]
上海睿升化工科技有限公司+86-021-50935922
上海乐晨国际贸易有限公司021-67256163 · [email protected]
北京环宇世纪化学科技有限公司hysj_bj.com
安徽科迪达化工有限公司0554-2106669 · [email protected]
重庆星灿医药科技有限公司13594048950 19923294409 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]
上海永叶生物科技有限公司86-021-61559134 15921386130 · [email protected]
Related reactions
201 records
Compound notes
Loading…