Basic information
- Standard SMILES
CC(=O)c1ccccc1Cl- InChIKey
ZDOYHCIRUPHUHN-UHFFFAOYSA-N- Molecular formula
- C8H7ClO
- Average molar mass
- 154.59 g/mol
- Monoisotopic mass
- 154.01854252
Names & identifiers
- Preferred name
- Ethanone, 1-(2-chlorophenyl)-
- IUPAC
- 1-(2-chlorophenyl)ethanone
- English name
- 2'-Chloroacetophenone
- Molecular formula
- C8H7ClO
- Molecular weight
- 154.59
Names & synonyms
2'-Chloroacetophenone2142-68-9o-ChloroacetophenoneEthanone, 1-(2-chlorophenyl)-Acetophenone, 2'-chloro-o-ChloroacetophononeAI3-15920NSC 405474EINECS 218-397-6BRN 1858916DTXSID10622014-07-00-00638 (Beilstein Handbook Reference)
Show more names
2-Chloro-1-acetylbenzeneHX4312&priMe(11bR)-(–oroacetophenoneAKOS BBS-000032362-CHLORACETOPHENONE
RefChem:592450DTXCID0036475218-397-61-(2-Chlorophenyl)ethanone1-(2-Chlorophenyl)Ethan-1-One1-(2-chloro-phenyl)-ethanoneMFCD000005602-Acetylphenyl chloride
Database identifiers
- CAS
2142-68-9- PubChem CID
- 72864
- DTXSID
DTXSID1062201- ChEMBL
CHEMBL4633448- UNII
- PP8Q8TNE2G
- EC Number
- 218-397-6
- Nikkaji
- J1.799J
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 133
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP2.09
Physicochemical properties
- Melting point
- 52 · 52-56C
- Boiling point
- 227 · 227-230 °C
- Density
- 1.19 g/mL · 1.190 g/mL at 20 °C
- refractive index
- 20 · n20/D 1.544
- Flash point
- 192 °F · 192 °F
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- Chloroform, DMSO (Slightly), Methanol (Slightly)
- form
- Liquid
- Specific Gravity
- 1.19 · 1.19
- color
- Clear light yellow to amber
- Sensitive
- Lachrymatory
- BRN
- 1858916 · 1858916
- InChI
- 1S/C8H7ClO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,1H3
- InChIKey
- ZDOYHCIRUPHUHN-UHFFFAOYSA-N
- SMILES
- CC(=O)c1ccccc1Cl
- CAS DataBase Reference
- 2142 · 2142-68-9(CAS DataBase Reference)
- FDA UNII
- 8 Q8TNE2G · PP8Q8TNE2G
- NIST Chemistry Reference
- 1 · Ethanone, 1-(2-chlorophenyl)-(2142-68-9)
- EPA Substance Registry System
- 1 · Ethanone, 1-(2-chlorophenyl)- (2142-68-9)
- UNSPSC Code
- 12352115 · 12352115
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xn,Xi,T+
- Risk Statements
- 22 · 22-36/37-36/37/38-26
- Safety Statements
- 26 · 26-36-37/39-45-36/37/39-28A
- RIDADR
- 3416 · UN 3416 6.1/PG 2
- WGK Germany
- 3 · 3
- RTECS
- 6310000 · AM6310000
- Hazard Note
- Harmful/Irritant/Lachrymatory
- TSCA
- TSCA listed
- HazardClass
- 6.1 · 6.1
- PackingGroup
- II
- HS Code
- 29147090 · 29147090
- Storage Class
- 6.1 A · 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Toxicity
- 50 orally · LD50 orally in Rabbit: 1820 mg/kg
- Excepted Quantities
- Not Permitted as Excepted Quantity
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (92.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 80 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (92.5%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- AM6310000
- ridadr
- UN 3416 6.1/PG 2
- hs_code
- 29147090
- Toxicity
- LD50 orally in Rabbit: 1820 mg/kg
- risk_code
- 22-36/37-36/37/38-26
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi,T+
- hazard_note
- Harmful/Irritant/Lachrymatory
- safety_code
- 26-36-37/39-45-36/37/39-28A
- hazard_class
- 6.1
- Storage Class
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- packing_group
- II
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H319-H335
- Excepted Quantities
- Not Permitted as Excepted Quantity
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationEthanone, 1-(2-chlorophenyl)-: INACTIVE
Applications
Uses2''-Chloroacetophenone (cas# 2142-68-9) is a compound useful in organic synthesis.
Uses2′-Chloroacetophenone was employed as model substrate to investigate the enzymatic performance of Aspergillus terreus and Rhizopus oryzae in enantioselective bioreductions using glycerol as a co-solvent.
General Description2′-Chloroacetophenone undergoes stereoselective reduction to (R)-2′-chloro-1-phenyl-ethanol by Saccharomyces cerevisiae B5. It is commonly used as lacrimator.
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]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
济南盛邦生物科技有限公司13685312009 · [email protected]
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
Ark Pharm, Inc.847-367-3680 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
上海易盛汇生物医药科技有限公司021-61453981 0316-7696480 · [email protected]
上海升华医药科技有限公司021-50793966 18917198199
孝感深远化工有限公司15527621225; 15527621225 · [email protected]
Beckmann-Kenko GmbH+49 4241 9308 88 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
北京世纪裕立化学有限公司010-64446226 13146983882 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
北京伊诺凯科技有限公司400-810-7969 010-59572699 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
越林试剂021-62960152 · [email protected]
上海睿升化工科技有限公司+86-021-50935922
山东博洛达生物科技有限公司0531-68659041 · [email protected]
上海倍卓生物科技有限公司021-61119791,13386096464 · [email protected]
上海湄水化工科技有限公司021-60549325 18616193163
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
上海将来实业股份有限公司021-61552785 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
日照力德士化工有限公司010-51268198 · [email protected]
美岚实业（上海）有限公司021-58958189 · [email protected]
上海爱蝶实业有限公司021-58957966 18930537195 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
广拓化学（上海）有限公司021-60899189-8001 18918189673 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
常州市卓燊医药化工材料有限公司519-519-85286950 13338194135 · [email protected]
Related reactions
70 records
Linked notes
Loading…