Basic information
- CAS
1864-94-4- Standard SMILES
O=COc1ccccc1- InChIKey
GEOWCLRLLWTHDN-UHFFFAOYSA-N- Molecular formula
- C7H6O2
- Average molar mass
- 122.12 g/mol
- Monoisotopic mass
- 122.03677943
Names & identifiers
- Preferred name
- Phenyl formate
- IUPAC
- phenyl formate
- English name
- PHENYL FORMATE
- Molecular formula
- C7H6O2
- Molecular weight
- 122.12
Names & synonyms
PHENYL FORMATE1864-94-4Formic acid, phenyl esterV4EL38P3VWEINECS 217-471-5DTXSID30171898RefChem:861589CHEMBL-366050DTXCID3094389217-471-5Formic acid phenyl esterMFCD00014126
Show more names
PhenylformiatFormyloxybenzenephenyl methanoatePhenoxyformaldehydeParoxetine Impurity 44METHANOICACID,PHENYLESTERPHENYL FORMATE: TECH., 85%Phenyl forMate >=98.0% (GC)
CHEMBL366050PhOCHOUNII-V4EL38P3VWSCHEMBL2661SCHEMBL2662SCHEMBL1953523SCHEMBL2836595SCHEMBL4600234
Database identifiers
- CAS
1864-94-4- PubChem CID
- 74626
- DTXSID
DTXSID30171898- ChEMBL
CHEMBL366050- UNII
- V4EL38P3VW
- EC Number
- 217-471-5
- Nikkaji
- J80.332D
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 84.9
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
LogP1.26
Physicochemical properties
- Melting point
- 33 · 33-37 °C(Solv: ethanol (64-17-5))
- Boiling point
- 62 °C/1 · 62 °C/1 mmHg (lit.)
- Density
- 1.12 g/mL · 1.120 g/mL at 20 °C (lit.)
- refractive index
- 20 · n20/D 1.511
- Flash point
- 71 °C · 71°C
- storage temp.
- Sealed in dry,Room Temperature
- form
- liquid
- Odor
- Pungent, rather sharp, green-herbaceous odor
- Appearance
- Colorless to light yellow Liquid
- Water Solubility
- Immiscible with water, alcohol, ether and benzene.
- BRN
- 507113 · 507113
- InChI
- InChI=1S/C7H6O2/c8-6-9-7-4-2-1-3-5-7/h1-6H
- InChIKey
- GEOWCLRLLWTHDN-UHFFFAOYSA-N
- SMILES
- C(OC1=CC=CC=C1)=O
- CAS DataBase Reference
- 1864 · 1864-94-4
- FDA UNII
- 4 EL38P3VW · V4EL38P3VW
- UNSPSC Code
- 12352100 · 12352100
- 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
- Risk Statements
- 22 · 22-36/37/38-52/53
- Safety Statements
- 26 · 26-61
- WGK Germany
- 2 · 2
- HS Code
- 29151300 · 29151300
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (87.2%): 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 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (87.2%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 2
- hs_code
- 29151300
- risk_code
- 22-36/37/38-52/53
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-61
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H319-H335
- 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
Applications
UsesPhenyl formate is widely used in the palladium-catalyzed carbonylation of aryl, alkenyl and allyl halides. It is also used as a reagent for the formylation of amines.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers91 total
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
上海策嵘生物科技有限公司[email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海凌凯科技股份有限公司58950110 13124863828 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
河北枫嘉新材料科技有限公司+86-0311-87836622 +86-18712993135 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Syntechem Co.,Ltd[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]
上海辅欣医药科技有限公司+86-021-021-50872116 · [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]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
常州环灵化工有限公司89803005 18206112582 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
Nanjing jinheyou Trading Co., Ltd.15705188088 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
上海珂华生物科技有限公司021-60455363 18019463053 · [email protected]
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
深圳菲斯生物科技有限公司0755-83725350 13380397412 · [email protected]
Qingdao Dexin Chemical Co., Ltd+86-15553333686 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [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]
天津荣燊化工有限公司18317763565; 18317763565 · [email protected]
南京熙泽医药科技有限公司025-66023220 15250997978 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
Henan Alfa Chemical Co., Ltd+8618339805032 · [email protected]
上海珈得尔化学技术有限公司021-4007787-550 400-7787-550 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
Standardpharm Co. Ltd.86-714-3992388 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
南京普鑫医药科技有限公司17366295326 · [email protected]
安阳鸿蒙新材料有限公司0372-19588588067 19588588067 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
成都同创源医药科技有限公司028-83379370 13880556291 · [email protected]
常州鹏森福生物科技有限公司18961173882 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
Related reactions
46 records
Compound notes
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