3-Chloro-1-propyne

HCID 12221
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Basic information

CAS
624-65-7
Standard SMILES
C#CCCl
InChIKey
LJZPPWWHKPGCHS-UHFFFAOYSA-N
Molecular formula
C3H3Cl
Average molar mass
74.51 g/mol
Monoisotopic mass
73.99232778

Names & identifiers

Preferred name
3-Chloro-1-propyne
IUPAC
3-chloroprop-1-yne
English name
3-Chloropropyne
Molecular formula
C3H3Cl
Molecular weight
74.51

Names & synonyms

Propargyl chloride624-65-73-CHLORO-1-PROPYNE1-Propyne, 3-chloro-3M62YFL252NSC-66411DTXSID4060789RefChem:176393DTXCID6043337210-856-93-Chloropropyne3-chloroprop-1-yne
Show more names
ChloropropynCH2ClCequivCH3-CHLOROPROPINE3-Chlor-1-propin3-ChloroallylenePropyne,3-chloro-
2-Propynyl chloridePropyne, 3-chloro-C3H3ClMFCD00000980propargylchlorideUNII-3M62YFL2521-Chloroprop-2-yne; 2-Propynyl Chloride; 3-Chloro-1-propyne; 3-Chloropropyne; NSC 66411EINECS 210-856-9

Database identifiers

CAS
624-65-7
PubChem CID
12221
DTXSID
DTXSID4060789
UNII
3M62YFL252
EC Number
210-856-9
Nikkaji
J22.069H

Properties

Computed structural properties

XLogP
0.9
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
0
Heavy atoms
4

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Halogenated Aliphatics, Unsaturated
SpringerMaterials PropertiesSchoenflies notation
Physical DescriptionLiquid; [Merck Index] Yellow to pale brown liquid with a pungent unpleasant odor; [Alfa Aesar MSDS]

Physicochemical properties

Melting point
-50 °C · <-50°C
Boiling point
58 °C · 58 °C(lit.)
Density
1.03 g/mL · 1.03 g/mL at 25 °C(lit.)
vapor pressure
24.08 · 24.08-69.52kPa at 20-50℃
refractive index
20 · n20/D 1.456
Flash point
7 °F · 7 °F

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P320, P321, P330, P361+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 184 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 04-03-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/10995
Hazards SummaryExposure of rats to saturated vapor at 25 deg C caused mortalities within 1 minute; Causes burns; Toxic by ingestion, inhalation, and skin absorption; [Alfa Aesar MSDS] See Propargyl bromide. See Dichloroacetylene.
Hazard Classes and CategoriesFlam. Liq. 2 (100%)

Toxicology

Adverse EffectsDermatotoxin - Skin burns.

Safety data

PPE
Faceshields, Gloves, Goggles
wgk
2
tsca
TSCA listed
ridadr
UN 3286 3/PG 2
hs_code
29032990
risk_code
11-23/24/25-34-65-48/20-63

Chemistry & industry

Uses & manufacturing

UsesUsed as an intermediate in organic synthesis; [Merck Index]
General Manufacturing Information1-Propyne, 3-chloro-: ACTIVE
Applications · 3 items

UsesPropargyl chloride was used to study emission spectra of dissociating propargyl chloride upon photoexcitation at 199 nm. It was used in the synthesis of novel tetraaryl analog of bisphenol A and triaryl analog of bisphenol A propargyl resins.

UsesIntermediate in organic synthesis.

General DescriptionPropargyl chloride is an efficient propargylating agent. It generates propargyl radicals by the pulsed laser photolysis.

Upstream & downstream products

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海伟聂化工科技有限公司13046668259 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]

Related reactions

136 records
New reaction record

Compound notes

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