Basic information
- CAS
57044-24-3- Standard SMILES
CC1(C)OC[C@H](CCl)O1- InChIKey
BNPOTXLWPZOESZ-YFKPBYRVSA-N- Molecular formula
- C6H11ClO2
- Average molar mass
- 150.6 g/mol
Names & identifiers
- Preferred name
- (R)-(+)-4-(Chloromethyl)-2,2-dimethyl-1,3-dioxolane
- IUPAC
- (4R)-4-(chloromethyl)-2,2-dimethyl-1,3-dioxolane
- English name
- (R)-(+)-4-Chloromethyl-2,2-dimethyl-1,3-dioxolane
- Molecular formula
- C6H11ClO2
- Molecular weight
- 150.6
Names & synonyms
(R)-(+)-4-(Chloromethyl)-2,2-dimethyl-1,3-dioxolaneRefChem:406984629-411-957044-24-3(R)-(+)-4-Chloromethyl-2,2-Dimethyl-1,3-Dioxolane(R)-4-(Chloromethyl)-2,2-dimethyl-1,3-dioxolane(4R)-4-(chloromethyl)-2,2-dimethyl-1,3-dioxolane(R)-4-Chloromethyl-2,2-dimethyl-1,3-dioxolaneMFCD002733711,3-Dioxolane, 4-(chloromethyl)-2,2-dimethyl-, (4R)-CTC27N3WX9(R)-3-chloro-1,2-propanediol acetonide
Show more names
Ceftobiprole Impurity 15R-Chloropropanediol acetonide(R)-3-Chloro-1,2-propandiol acetonideR-4-chloromethyl-2,2-dimethyl-1,3-dioxoane(R)-2,2-Dimethyl-4-Chlormethyl-1,3-Dioxolane(R)-2,2-Dimethyl-4-Chloromethyl-1,3-Dioxolane(R)-4-Chloromethyl-2,2-dimethyl-1,3-dioxolane >(R)-(+)-4-Chloromethyl-2,2-dimethyl-1,3-dioxolane
4-(Chloromethyl)-2,2-dimethyl-1,3-dioxolane, (+)-(R )-4-CHLOROMETHYL-2,2 -DIMETHYL-1,3-DIOXOLANEUNII-CTC27N3WX9SCHEMBL1204186BNPOTXLWPZOESZ-YFKPBYRVSA-NAKOS006239595AKOS015848752AC-6919
Database identifiers
- CAS
57044-24-3- PubChem CID
- 2734443
- UNII
- CTC27N3WX9
- EC Number
- 629-411-9
- Nikkaji
- J451.160C
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 103
Physicochemical properties
- Boiling point
- 63 °C37 · 63 °C37 mm Hg(lit.)
- alpha
- 42.1 · 42.1 º (NEAT)
- Density
- 1.103 g/mL · 1.103 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.434(lit.)
- Flash point
- 123 °F · 123 °F
- storage temp.
- 2 · Storage temp. 2-8°C
- form
- clear liquid
- color
- Colorless to Almost colorless
- optical activity
- 24 · [α]24/D +42.1°, neat
- BRN
- 4654188 · 4654188
- InChI
- InChI=1S/C6H11ClO2/c1-6(2)8-4-5(3-7)9-6/h5H,3-4H2,1-2H3/t5-/m0/s1
- InChIKey
- BNPOTXLWPZOESZ-YFKPBYRVSA-N
- SMILES
- O1C[C@H](CCl)OC1(C)C
- CAS DataBase Reference
- 57044 · 57044-24-3(CAS DataBase Reference)
- FDA UNII
- 27 N3WX9 · CTC27N3WX9
- UNSPSC Code
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
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P264, P264+P265, P280, P302+P352, P303+P361+P353, P305+P354+P338, P317, P321, P332+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 1993 3/PG 3
- hs_code
- 29329990
- risk_code
- 10-41
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05
- hazard_code
- Xi
- safety_code
- 16-26-36
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- Hazard statements
- H226-H318
- Hazard Classifications
- Eye Dam. 1Flam. Liq. 3
- Precautionary statements
Chemistry & industry
Applications
UsesUtilized in the preparation of both enantiomers of the orally active antifungal azolic agent ketoconazole.
Uses(R)-4-Chloromethyl-2,2-dimethyl-1,3-dioxolane is often used in biosynthetic preparations.
Upstream & downstream products
Downstream products
Suppliers79 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海科利生物医药有限公司13816253073 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
Related reactions
19 records
Compound notes
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