Basic information
- CAS
167678-46-8- Standard SMILES
CC(=O)Oc1cccc(C(=O)Cl)c1C- InChIKey
COLDUSGLGQXXEJ-UHFFFAOYSA-N- Molecular formula
- C10H9ClO3
- Average molar mass
- 212.63 g/mol
- Monoisotopic mass
- 212.02402183
Names & identifiers
- Preferred name
- (3-(Chlorocarbonyl)-2-methylphenyl)acetate
- IUPAC
- (3-carbonochloridoyl-2-methylphenyl) acetate
- English name
- 3-ACETOXY-2-METHYLBENZOYL CHLORIDE
- Molecular formula
- C10H9ClO3
- Molecular weight
- 212.63
Names & synonyms
BENZOYL CHLORIDE, 3-(ACETYLOXY)-2-METHYL-(3-(Chlorocarbonyl)-2-methylphenyl)acetateEC 433-690-0[3-(chlorocarbonyl)-2-methylphenyl]acetateRefChem:399633433-690-0605-483-73-Acetoxy-2-methylbenzoyl Chloride167678-46-83-(Chlorocarbonyl)-2-methylphenyl Acetate(3-carbonochloridoyl-2-methylphenyl) acetateAcetic Acid 3-(Chlorocarbonyl)-2-methylphenyl Ester
Show more names
AMBCSKL12683-ACETOXY-O-TOLUOYL CHLORIDE2-METHYL-3-ACETOXYBENZOYLCHLORIDE3-Acetoxy-2-Methylbenzyl Chloride2-Methyl-3-acetoxybenzoic chloride(1-[6-(Dimethylamino)-2-naphthalenyl])3-Acetoxy-2-methylbenzoylchloride (AMBC)
C25313-(Chlorocarbonyl)-2-methylphenyl acetate; 3-Acetoxy-2-methylbenzoyl chlorideMFCD020940373-(Chlorocarbonyl)-2-methylphenylAcetateSCHEMBL414201DTXSID504266353-Acetoxy-2-methylbenzoylchlorideSBB067902
Database identifiers
- CAS
167678-46-8- PubChem CID
- 7010345
- DTXSID
DTXSID50426635- EC Number
- 433-690-0、605-483-7
- Nikkaji
- J1.399.611C
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 240
Physicochemical properties
- Melting point
- 31 · 31-35°C
- Boiling point
- 148 °C/11mmHg · 148°C/11mmHg(lit.)
- Density
- 1 · 1,25 g/cm3
- solubility
- Chloroform, Dichloromethane
- form
- Oil
- color
- Light Yellow
- Sensitive
- Moisture Sensitive
- BRN
- 8054543 · 8054543
- InChI
- InChI=1S/C10H9ClO3/c1-6-8(10(11)13)4-3-5-9(6)14-7(2)12/h3-5H,1-2H3
- InChIKey
- COLDUSGLGQXXEJ-UHFFFAOYSA-N
- SMILES
- C(Cl)(=O)C1=CC=CC(OC(C)=O)=C1C
- CAS DataBase Reference
- 167678 · 167678-46-8(CAS DataBase Reference)
- UNSPSC Code
- 12352101 · 12352101
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 290 · H290-H314-H317-H318
- Precautionary statements
- 234 · P234-P260-P264-P272-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P390-P405-P406-P501-P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P501a
- Risk Statements
- 34 · 34-43-35
- Safety Statements
- 26 · 26-36/37/39-45-7/8
- RIDADR
- 3261 · 3261
- WGK Germany
- 3 · WGK 3
- HazardClass
- 8 · 8
- PackingGroup
- III
- HS Code
- 29159000 · 29159000
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 1 Skin · Eye Dam. 1Skin Corr. 1ASkin Sens. 1
- REACH Registrations
- Inactive
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
Danger
H314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P272, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P272, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Hazard information
Regulatory InformationStatus: Active Update: 27-08-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/9224
Hazard Classes and Categories
Skin Corr. 1A (100%)
Skin corrosion - category 1A
Skin Corr. 1A
Safety data
- wgk
- WGK 3
- ridadr
- 3261
- hs_code
- 29159000
- risk_code
- 34-43-35
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- safety_code
- 26-36/37/39-45-7/8
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- III
- Hazard statements
- H290-H314-H317-H318
- REACH Registrations
- Inactive
- Hazard Classifications
- Eye Dam. 1Skin Corr. 1ASkin Sens. 1
- Precautionary statements
- P234-P260-P264-P272-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P390-P405-P406-P501-P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P501a
Chemistry & industry
Applications
UsesAn intermediate in the preparation of small-sized HIV protease inhibitors.
Upstream & downstream products
Upstream raw materials
Suppliers94 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
宁波君龙新材料有限公司0574 88552216 19032109277 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
武汉绿景丰华生物科技有限公司19972070065 · [email protected]
Aladdin Scientific[email protected]
衢州明锋化工有限公司0570-3062502 13819002126;13819008176 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [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]
上海相辉医药科技有限公司13761987713; 13761987713 · [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]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
上海辅欣医药科技有限公司021-50872116 13391048226 · [email protected]
湖北成海化工有限公司027-59220433 18327245847 · [email protected]
湖北微斯汀科技有限公司027-61182895 13367240285 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
南京化学试剂股份有限公司025-58369808 17895012682 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
上海石洋化工有限公司021-56795766 · [email protected]
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]
上海纳谦化学科技有限公司13598610367 13598610367 · [email protected]
河北朵放科技有限公司13127301785 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
武汉贝乐叶生物医药科技有限公司18086118078 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466205 15377579727 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
湖北世腾化工科技有限公司18971850150 19086915685 · [email protected]
上海德轩医药科技有限公司[email protected] · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
南通市苏北化工原料有限公司0513-85290972 18762756250 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
武汉市承天精细化工有限公司18164098996 · [email protected]
湖北齐飞医药化工有限公司027-59322506 18071128681 · [email protected]
成都华纯科技有限公司400-1166-196 15982826727 · [email protected]
泰安市嘉叶生物科技有限公司15318151873;13127280945 · [email protected]
上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
Related reactions
30 records
Compound notes
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