Basic information
- Standard SMILES
COCCCCl- InChIKey
BQLHMMQUVJCTAN-UHFFFAOYSA-N- Molecular formula
- C4H9ClO
- Average molar mass
- 108.57 g/mol
- Monoisotopic mass
- 108.03419259
Names & identifiers
- Preferred name
- 1-Chloro-3-methoxypropane
- IUPAC
- 1-chloro-3-methoxypropane
- English name
- 3-Chloropropyl methyl ether
- Molecular formula
- C4H9ClO
- Molecular weight
- 108.57
Names & synonyms
1-Chloro-3-methoxypropane36215-07-3EINECS 252-919-3DTXSID70189770RefChem:431343DTXCID30112261252-919-33-Chloropropyl Methyl Ether1-chloro-3-methoxy-PropanePropane, 1-chloro-3-methoxy-MFCD056634193-Methoxypropyl Chloride
Show more names
1-chloro-1-butanol3-Chloropropyl methy3-Methoxypropylchloride3-Chloro-1-methoxypropanePropane,1-chloro-3-methoxy-383-ChloroPropylMethyl ether
methyl 3-chloropropyl ether3-chloro-methoxy propane1-chlor-3-methoxypropane3-methoxy-1-chloropropaneCHLORO-METHOXYPROPANE1 -chloro-3-methoxypropane1-Chloro-3-methoxypropane #SCHEMBL600700
Database identifiers
- CAS
36215-07-3- PubChem CID
- 118927
- DTXSID
DTXSID70189770- EC Number
- 252-919-3
- Nikkaji
- J319.611I
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 23.5
Physicochemical properties
- Melting point
- NA
- Boiling point
- 99 °C · 99°C
- Density
- 0.966 · 0.966
- vapor pressure
- 25 hPa · 25 hPa ( 20 °C)
- refractive index
- 1.411 · 1.4110-1.4150
- Flash point
- 28 °C · 28°C
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- Chloroform (Slightly)
- form
- Clear Colourless Liquid
- color
- Colorless to Almost colorless
- InChI
- 1S/C4H9ClO/c1-6-4-2-3-5/h2-4H2,1H3
- InChIKey
- BQLHMMQUVJCTAN-UHFFFAOYSA-N
- SMILES
- ClCCCOC
- CAS DataBase Reference
- 36215 · 36215-07-3(CAS DataBase Reference)
- NIST Chemistry Reference
- 1 · Propane, 1-chloro-3-methoxy-(36215-07-3)
- UNSPSC Code
- 12352112 · 12352112
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Danger
- Hazard statements
- 225 · H225
- Precautionary statements
- 210 · P210-P233-P240-P241-P242-P243
- Risk Statements
- 11 · 11
- Safety Statements
- 9 · 9-16-26
- RIDADR
- 3271 · 3271
- WGK Germany
- 1 · WGK 1
- Autoignition Temperature
- 205 °C · 205°C (DIN 51794)
- HazardClass
- 3 · 3
- PackingGroup
- III
- HS Code
- 2909199090 · 2909199090
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 2 · Flam. Liq. 2
Safety & regulation
GHS classification
GHS Classification
Danger
H225 (60%): Highly Flammable liquid and vapor [Danger 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 5 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. 2 (60%)
Safety data
- wgk
- WGK 1
- ridadr
- 3271
- hs_code
- 2909199090
- risk_code
- 11
- Signal word
- Danger
- Symbol(GHS)
- GHS02
- safety_code
- 9-16-26
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- Hazard statements
- H225
- Hazard Classifications
- Flam. Liq. 2
- Autoignition Temperature
- 205°C (DIN 51794)
- Precautionary statements
- P210-P233-P240-P241-P242-P243
Chemistry & industry
Applications
Uses1-Chloro-3-methoxypropane (cas# 36215-07-3) is a compound useful in organic synthesis.
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Related reactions
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