Basic information
- CAS
177750-73-1- Standard SMILES
CC(C)(C)OC(=O)N1CCCC1CI- InChIKey
QCETXLFSWJGTAZ-UHFFFAOYSA-N- Molecular formula
- C10H18INO2
- Average molar mass
- 311.16 g/mol
- Monoisotopic mass
- 311.03823
Names & identifiers
- Preferred name
- tert-Butyl 2-(iodomethyl)pyrrolidine-1-carboxylate
- IUPAC
- tert-butyl 2-(iodomethyl)pyrrolidine-1-carboxylate
- English name
- tert-Butyl 2-(iodomethyl)-1-pyrrolidinecarboxylate
- Molecular formula
- C10H18INO2
- Molecular weight
- 311.16
Names & synonyms
177750-73-1tert-butyl 2-(iodomethyl)pyrrolidine-1-carboxylateDTXSID80338015RefChem:383176DTXCID10289102860-107-01-Boc-2-(Iodomethyl)pyrrolidineMFCD17214621tert-Butyl 2-(iodomethyl)-1-pyrrolidinecarboxylate2-Iodomethyl-pyrrolidine-1-carboxylic acid tert-butyl esterSCHEMBL641090QCETXLFSWJGTAZ-UHFFFAOYSA-N
Show more names
N-Boc-2-(iodomethyl)pyrrolidine2-(Iodomethyl)-1-pyrrolidinecarboxylic acid tert-butyl ester1-Pyrrolidinecarboxylic acid, 2-(iodomethyl)-, 1,1-dimethylethyl ester
CHA75073NNA94522AKOS015907309AB69520AB69522AB91462DA-17302SY318736
Database identifiers
- CAS
177750-73-1- PubChem CID
- 545926
- DTXSID
DTXSID80338015- EC Number
- 860-107-0
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 213
Physicochemical properties
- Boiling point
- 319 · 319.0±15.0 °C(Predicted)
- Density
- 1.504 · 1.504
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- -2.38 · -2.38±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332
- Precautionary statements
- 280 · P280
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, 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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302+H312+H332
- Precautionary statements
- P280
Chemistry & industry
Suppliers21 total
河北贝克曼生物科技有限公司15961617865 15961617865 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
成都安米诺泰医药科技有限公司028-85755578 18140172005 · [email protected]
重庆旭晗科技有限公司13668063927; 13668063927 · [email protected]
天津泛德科技发展有限公司15620920485; 15620920485 · [email protected]
江阴安博生物医药有限公司086-010-62176588 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
上海敏寒医药科技有限公司17612188245 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
上海波以尔化工有限公司021-50182298 021-50180596 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
上海珂华生物科技有限公司021-58581007 18019463053 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
江阴勒森生物科技有限公司18961626312 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
江苏药泽医药科技有限公司18550739526 · [email protected]
Related reactions
3 records
Compound notes
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