Basic information
- Standard SMILES
CCCCC(=O)Cl- InChIKey
XGISHOFUAFNYQF-UHFFFAOYSA-N- Molecular formula
- C5H9ClO
- Average molar mass
- 120.58 g/mol
- Monoisotopic mass
- 120.03419259
Overview
Valeryl chloride appears as a colorless fuming liquid with a pungent odor. Fumes irritate the eyes and mucous membranes. Corrosive.
Names & identifiers
- Preferred name
- Valeryl chloride
- IUPAC
- pentanoyl chloride
- English name
- Valeryl chloride
- Molecular formula
- C5H9ClO
- Molecular weight
- 120.58
Names & synonyms
Valeryl chloridePENTANOYL CHLORIDEValeroyl chloriden-pentanoyl chloridepentanoic acid chloriden-Valeroyl chlorideDTXSID2034091n-Butanecarbonyl chlorideKJ3B4CY5GGUN2502DTXCID0014091XGISHOFUAFNYQF-UHFFFAOYSA-
Show more names
N-VALERYL CHLORIDEvalerylVACLeroyLIs e chloride
UN 2502nPentanoyl chloridenButanecarbonyl chlorideRefChem:193560211-330-1InChI=1/C5H9ClO/c1-2-3-4-5(6)7/h2-4H2,1H3XGISHOFUAFNYQF-UHFFFAOYSA-N638-29-9
Database identifiers
- CAS
638-29-9- PubChem CID
- 61186
- DTXSID
DTXSID2034091- ChEMBL
CHEMBL1607711- UNII
- KJ3B4CY5GG
- EC Number
- 211-330-1
- Nikkaji
- J36.576I
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 61.1
Experimental & physicochemical properties
Chemical Classes
Toxic Gases & Vapors -> Acid Halides
Corrosives
SpringerMaterials PropertiesBoiling point
Physical Description
Valeryl chloride appears as a colorless fuming liquid with a pungent odor. Fumes irritate the eyes and mucous membranes. Corrosive.
Colorless fuming liquid with a pungent odor; [CAMEO] Colorless to pale yellow liquid with an acrid odor; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- -110 °C · -110 °C
- Boiling point
- 125 · 125-127 °C(lit.)
- Density
- 1.016 g/mL · 1.016 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.42(lit.)
- Flash point
- 91 °F · 91 °F
- storage temp.
- Flammables area
- solubility
- Chloroform (Sparingly), Ethyl Acetate (Slightly)
- form
- Liquid
- color
- Clear colorless to light yellow
- Water Solubility
- decomposes
- Sensitive
- Moisture Sensitive
- BRN
- 506293 · 506293
- Stability
- Moisture Sensitive
- InChI
- 1S/C5H9ClO/c1-2-3-4-5(6)7/h2-4H2,1H3
- InChIKey
- XGISHOFUAFNYQF-UHFFFAOYSA-N
- SMILES
- CCCCC(Cl)=O
- CAS DataBase Reference
- 638 · 638-29-9(CAS DataBase Reference)
- FDA UNII
- 3 B4CY5GG · KJ3B4CY5GG
- NIST Chemistry Reference
- Pentanoyl chloride(638-29-9)
- EPA Substance Registry System
- Pentanoyl chloride (638-29-9)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302+H332-H314-H402-H225-H290
- Precautionary statements
- 501 · P501-P261-P273-P270-P240-P210-P233-P234-P243-P241-P242-P271-P264-P280-P370+P378-P390-P303+P361+P353-P301+P330+P331-P363-P301+P312+P330-P304+P340+P310-P305+P351+P338+P310-P403+P235-P406-P405
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- Hazard Codes
- C
- Risk Statements
- 10 · 10-20-35-34
- Safety Statements
- 26 · 26-36/37/39-45
- RIDADR
- 2502 · UN 2502
- WGK Germany
- 3 · 3
- RTECS
- 9107500 · YV9107500
- TSCA
- TSCA listed
- HazardClass
- 8 · 8
- PackingGroup
- II
- HS Code
- 29159080 · 29159080
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 3 InhalationAquatic · Acute Tox. 3 InhalationAquatic Chronic 3Eye Dam. 1Flam. Liq. 3Met. Corr. 1Skin Corr. 1A
- REACH Registrations
- Active
- Limited Quantities
- 1 L · 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
GHS classification
GHS Classification
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P234, P240, P241, P242, P243, P260, P261, P264, P264+P265, P271, P273, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P363, P370+P378, P390, P403+P233, P403+P235, P405, P406, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 160 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Pentanoyl chloride
Status: Active Update: 10-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/13405
Pentanoyl chloride: Does not have an individual approval but may be used under an appropriate group standard
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
Other Safety InformationIMAP assessments - Pentanoyl chloride: Human health tier I assessment
DOT LabelCorrosive Flammable Liquid
Fire Hazards
Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
· Flammable/combustible material.
Health Hazards
Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
· May cause toxic effects if inhaled or ingested.
Hazards SummaryReacts with water evolving hydrochloric and valeric acids; Corrosive; Fumes cause eye and mucous membrane irritation; [CAMEO] Hydrolyzed by water; Causes burns; Harmful by ingestion and inhalation; [Alfa Aesar MSDS]
DOT ID and Guide2502 132
Reactive GroupAcyl Halides, Sulfonyl Halides, and Chloroformates
Reactivity AlertsHighly Flammable
Reactivity Profile
VALERYL CHLORIDE is acidic. Incompatible with water, with bases, including amines, and with strong oxidizing agents and alcohols. May react vigorously or explosively if mixed with diisopropyl ether or other ethers in the presence of trace amounts of metal salts [J. Haz. Mat., 1981, 4, 291].
DOT Hazard Classification
Valeryl chloride
UN2502
Class 8 Corrosive material (49 eCFR § 173.136)
Class 8 Corrosive material (49 eCFR § 173.136)
PG II: the degree of danger presented by the material is medium
Air and Water ReactionsHighly flammable. Fumes in air. Reacts exothermically with water to generate hydrochloric and valeric acids, which are corrosive.
Safety & protection
Fire FightingExcerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Accidental Release Measures
· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.
· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.
First Aid
Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
General First Aid:
Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Nonfire Spill ResponseExcerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Isolation and Evacuation
Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Immediate precautionary measure
Personal Protective Equipment (PPE)Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Emergency Response Planning Guidelines· Some of these materials may react violently with water.
Toxicology
Adverse EffectsDermatotoxin - Skin burns.
Toxicity DataLC50 (rat) = 2,070 mg/m3/4hr
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- YV9107500
- ridadr
- UN 2502
- hs_code
- 29159080
- risk_code
- 10-20-35-34
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05,GHS07
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- Storage Class
- 3 - Flammable liquids
- packing_group
- II
- Hazard statements
- H302+H332-H314-H402-H225-H290
- Limited Quantities
- 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 3 InhalationAquatic Chronic 3Eye Dam. 1Flam. Liq. 3Met. Corr. 1Skin Corr. 1A
- Precautionary statements
- P501-P261-P273-P270-P240-P210-P233-P234-P243-P241-P242-P271-P264-P280-P370+P378-P390-P303+P361+P353-P301+P330+P331-P363-P301+P312+P330-P304+P340+P310-P305+P351+P338+P310-P403+P235-P406-P405
Chemistry & industry
Uses & manufacturing
UsesUsed to make large scale and fine chemicals; [ExPub: ECHA REACH Registrations]
General Manufacturing InformationPentanoyl chloride: ACTIVE
Applications
UsesValeryl chloride is an intermediate for pharmaceuticals, agrochemicals, surfactants, fragrances, electronic chemicals.
General DescriptionA colorless fuming liquid with a pungent odor. Flash point 74°F. Fumes irritate the eyes and mucous membranes. Corrosive.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 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]
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Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
Syntechem Co.,Ltd[email protected]
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嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
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上海蓝润化学有限公司021-69515658 ; 69515628 13701998368 · [email protected]
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