CAS 1768-64-5 2H-Pyran, 4-chlorotetrahydro- (HCID 137202)

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Basic information

CAS: 1768-64-5
Standard SMILES: ClC1CCOCC1
InChIKey: DHRSKOBIDIDMJZ-UHFFFAOYSA-N
Molecular formula: C5H9ClO
Average molar mass: 120.58 g/mol
Monoisotopic mass: 120.03419259

Names & identifiers

Preferred name: 2H-Pyran, 4-chlorotetrahydro-
IUPAC: 4-chlorooxane
English name: 4-Chlorotetrahydropyran
Molecular formula: C5H9ClO
Molecular weight: 120.58

Names & synonyms

1768-64-54-Chlorotetrahydro-2H-pyran4-chlorooxane2H-Pyran, 4-chlorotetrahydro-DTXSID80170194RefChem:484345DTXCID8092685605-785-9InChI=1/C5H9ClO/c6-5-1-3-7-4-2-5/h5H,1-4H4-ChlorotetrahydropyranMFCD000749114-chloro-tetrahydro-pyran

Show more names

4-Chlorotetrapyran4-Chlorotetrahydropyran 96%Tetrahydro-2H-pyran-4-chloride4-Chlorotetrahydro-2H-pyran >4-chlorotetrahydro-2H-pran-4-one4-Chlorotetrahydropyran in methanol

SCHEMBL9047844-Chlorotetrahydro-2H-pyran #AKOS009157144CS-W016579MS-20423EN300-754534-ChlorotetrahydrAM794

Database identifiers

CAS: 1768-64-5
PubChem CID: 137202
DTXSID: DTXSID80170194
EC Number: 605-785-9
Nikkaji: J1.824.888C

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 7
Formal charge: 0
Complexity: 50

Physicochemical properties

Boiling point: 150 °C · 150 °C(lit.)
Density: 1.114 g/mL · 1.114 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.462(lit.)
Flash point: 114 °F · 114 °F
storage temp.: Inert atmosphere,Room Temperature
solubility: water: soluble(lit.)
form: Liquid
color: Colorless to dark yellow
Water Solubility: water: soluble(lit.)
Stability: Volatile
InChI: InChI=1S/C5H9ClO/c6-5-1-3-7-4-2-5/h5H,1-4H2
InChIKey: DHRSKOBIDIDMJZ-UHFFFAOYSA-N
SMILES: C1OCCC(Cl)C1
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS07
Signal word

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 7 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: 2932990090
risk_code: 10-36/37/38
Signal word: Warning
Symbol(GHS): GHS02,GHS07
hazard_code: Xi
safety_code: 16-26-36/37/39
hazard_class: 3.2
Storage Class: 3 - Flammable liquids
packing_group: III
target organs: Respiratory system
Hazard statements: H226-H315-H319-H335
Limited Quantities: 5.0 L (1.3 gallons) (liquid)
Excepted Quantities

Chemistry & industry

Applications · 3 items

Uses4-Chlorotetrahydropyran is a useful reagent for the synthetic preparation of coupling products via iridium photo-catalyzed cross-electrophile coupling.

Uses4-Chlorotetrahydropyran was used in the synthesis of 3-chlorogutaric acid.

General Description4-Chlorotetrahydropyran is a commonly employed starting material in organic synthesis.