Basic information
- CAS
65853-65-8- Standard SMILES
O=C(OCc1ccccc1Cl)ON1C(=O)CCC1=O- InChIKey
LVZHXYXNMHCBKC-UHFFFAOYSA-N- Molecular formula
- C12H10ClNO5
- Average molar mass
- 283.66 g/mol
- Monoisotopic mass
- 283.0247501
Names & identifiers
- Preferred name
- N-(2-Chlorobenzyloxycarbonyloxy)succinimide
- IUPAC
- (2-chlorophenyl)methyl (2,5-dioxopyrrolidin-1-yl) carbonate
- English name
- N-(2-Chlorobenzyloxycarbonyloxy)succinimide
- Molecular formula
- C12H10ClNO5
- Molecular weight
- 283.66
Names & synonyms
65853-65-8N-(2-Chlorobenzyloxycarbonyloxy)succinimide2-Chlorobenzyl succinimidyl carbonateDTXSID70342308N-(O-Chlorocarbobenzoxyoxy)succinimideN-(2-Chlorobenzyloxycarbonyl)succinimideRefChem:360582DTXCID90293388LVZHXYXNMHCBKC-UHFFFAOYSA-N2-Chlorobenzyl (2,5-dioxopyrrolidin-1-yl) carbonateZ(2-Cl)-OSu(2-chlorophenyl)methyl (2,5-dioxopyrrolidin-1-yl) carbonate
Show more names
2-CL-Z-OSU2-CIZ-OsuZ-(2-CL)SU2-CL-Z-ONSUZ(2-CI)-OSUz-(2-cl)-onsuCbz(2-Cl)-OSu2-Chloro-Z-OSuTIMTEC-BB SBB006459
MFCD000107432,5-Pyrrolidinedione, 1-[[[(2-chlorophenyl)methoxy]carbonyl]oxy]-N-(2-Chlorocarbobenzoxyoxy)succinimideC12H10ClNO52,5-dioxoazolidinyl [(2-chlorophenyl)methoxy]formate(2-chlorophenyl)methyl 2,5-dioxopyrrolidin-1-yl carbonateSCHEMBL2236423SBB006459
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 370
Physicochemical properties
- Melting point
- 102 · 102-105 °C(lit.)
- Boiling point
- 397.4 · 397.4±44.0 °C(Predicted)
- Density
- 1.4 · 1.4000 (rough estimate)
- refractive index
- 1.65 · 1.6500 (estimate)
- storage temp.
- 2 · Sealed in dry,2-8°C
- form
- powder
- Major Application
- peptide synthesis
- InChI
- 1S/C12H10ClNO5/c13-9-4-2-1-3-8(9)7-18-12(17)19-14-10(15)5-6-11(14)16/h1-4H,5-7H2
- InChIKey
- LVZHXYXNMHCBKC-UHFFFAOYSA-N
- SMILES
- Clc1c(cccc1)COC(=O)ON2C(=O)CCC2=O
- CAS DataBase Reference
- 65853 · 65853-65-8(CAS DataBase Reference)
- UNSPSC Code
- 12352108 · 12352108
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
Safety & regulation
GHS classification
GHS Classification
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, 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 CategoriesSkin Sens. 1 (100%)
Safety data
- F
- 10-21
- wgk
- 3
- hs_code
- 2933 79 00
- Toxicity
- LD50 orally in Rabbit: > 2000 mg/kg
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 22-24/25-26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H317
- Hazard Classifications
- Skin Sens. 1
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P362+P364
Chemistry & industry
Applications
UsesN-(2-Chlorobenzyloxycarbonyloxy)succinimide is a reagent used to introduce the 2-chloro-Z group for protection of the side chain function of lysine.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [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]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
成都翰唯生物科技有限公司17360178904 18217049878
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
Related reactions
1 records
Compound notes
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