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Cyclopentylacetyl chloride

HCID 3485182
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
1122-99-2
Standard SMILES
O=C(Cl)CC1CCCC1
InChIKey
NILLIUYSJFTTRH-UHFFFAOYSA-N
Molecular formula
C7H11ClO
Average molar mass
146.61 g/mol
Monoisotopic mass
146.04984265

Names & identifiers

Preferred name
Cyclopentylacetyl chloride
IUPAC
2-cyclopentylacetyl chloride
English name
Cyclopentylacetyl chloride
Molecular formula
C7H11ClO
Molecular weight
146.61

Names & synonyms

Cyclopentylacetyl chloride1122-99-2DTXSID90392926RefChem:336107DTXCID003437872-cyclopentylacetyl ChloridecyclopentylacetylchlorideCyclopentaneacetyl chlorideMFCD00236031cylopentylacetyl chloridecyclopentylacetic chlorideCyclopentanacetyl Chloride
Show more names
2-cyclopentylethanoyl chlorideCYCLOPENTYLACETYL CHLORIDE ISO 9001:2015 REACH
cyclopentyl acetyl chloridecyclopentyl-acetyl chloride3-cyclopentylacetyl chlorideSCHEMBL329988cyclopentylmethyl carbonyl chlorideNILLIUYSJFTTRH-UHFFFAOYSA-NALBB-022363AKOS005215998

Database identifiers

CAS
1122-99-2
PubChem CID
3485182
DTXSID
DTXSID90392926
EC Number
679-125-3
Nikkaji
J2.346.439J

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
9
Formal charge
0
Complexity
105

Physicochemical properties

Boiling point
57 · 57-58°C 10mm
Density
1.087 · 1.087
refractive index
1.4622 · 1.4622
Flash point
57 · 57-58°C/10mm
form
solid
Water Solubility
Reacts with water.
Sensitive
Moisture Sensitive
BRN
1906113 · 1906113
InChI
1S/C7H11ClO/c8-7(9)5-6-3-1-2-4-6/h6H,1-5H2
InChIKey
NILLIUYSJFTTRH-UHFFFAOYSA-N
SMILES
ClC(=O)CC1CCCC1
UNSPSC Code
12352200 · 12352200
Symbol(GHS)
5 · GHS05
Signal word
Danger
Hazard statements
227 · H227-H314-H318
Precautionary statements
280 · P280-P305+P351+P338-P309-P310a
Hazard Codes

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 · 4 items

Danger

H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P264+P265, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P330, P337+P317, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (20%)

Safety data

wgk
WGK 3
ridadr
3265
risk_code
34-52-36-22
Signal word
Danger
Symbol(GHS)
GHS05
hazard_code
Xn
safety_code
26-36/37/39
hazard_class
8
Storage Class
11 - Combustible Solids
packing_group
II
Hazard statements
H227-H314-H318
Hazard Classifications
Acute Tox. 4 OralAquatic Chronic 3Eye Irrit. 2
Precautionary statements
P280-P305+P351+P338-P309-P310a

Chemistry & industry

Applications

UsesCyclopentylacetyl chloride is used as a pharmaceutical intermediate and in chemical research.

Upstream & downstream products

Downstream products

Cyclopentanemethylamine2-bromo-2-cyclopentylacetyl chloride2-cyclopentyl-1-(4-methoxy-2,3-dimethylphenyl)ethanone

Suppliers24 total

天津长江化学有限公司19129375004; 15321929114 · [email protected]
Syntechem Co.,Ltd[email protected]
阿法埃莎(中国)化学有限公司400-6106006 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
赛纳斯特化学(欢迎点击联系)021-60343070
阳谷荣科商贸有限公司15863541132 · [email protected]
陕西缔都医药化工有限公司+86-29-87569262 +86-15003564040 · [email protected]
Chongqing jooe co., ltd

Related reactions

136 records
New reaction record
HRID 64723 reaction equation
HRID 64723As reactantuspto-grants-1986_09
HRID 78413 reaction equation
HRID 78413As reactantuspto-grants-2014_09
HRID 105400 reaction equation
HRID 105400As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 124307 reaction equation
HRID 124307As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 141967 reaction equation
HRID 141967As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 149391 reaction equation
HRID 149391As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 161242 reaction equation
HRID 161242As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 162411 reaction equation
HRID 162411As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
Page 1 of 17

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Xn
Risk Statements
34 · 34-52-36-22
Safety Statements
26 · 26-36/37/39
RIDADR
3265 · 3265
WGK Germany
3 · WGK 3
HazardClass
8 · 8
PackingGroup
II
Storage Class
11 · 11 - Combustible Solids
Hazard Classifications
4 OralAquatic · Acute Tox. 4 OralAquatic Chronic 3Eye Irrit. 2
+86-15223382610 · [email protected]
南京合巨药业有限公司25-57027686 17372956142 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
安阳鸿蒙新材料有限公司0372-19588588067 19588588067 · [email protected]
菏泽星达医药科技有限公司13583079096 · [email protected]
上海修时生物医药有限公司15002184385 15021598081 15002184385 · [email protected]
上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
南京合巨药业有限公司025-57027686 17372956142 · [email protected]
南京天海医药科技有限公司025-58351158 13851454004 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
山东煜昌药业有限公司531-87153728 13805401165 · [email protected]
重庆卡兰医药有限公司[email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
宝鸡缔都医药化工有限公司029-029-81148929 17792602132 · [email protected]
泰兴市海川生物科技有限公司19353112242 · [email protected]