Basic information
- Standard SMILES
O=Cc1ccc(F)cc1- InChIKey
UOQXIWFBQSVDPP-UHFFFAOYSA-N- Molecular formula
- C7H5FO
- Average molar mass
- 124.11 g/mol
- Monoisotopic mass
- 124.032443
Names & identifiers
- Preferred name
- 4-Fluorobenzaldehyde
- IUPAC
- 4-fluorobenzaldehyde
- English name
- 4-Fluorobenzaldehyde
- Molecular formula
- C7H5FO
- Molecular weight
- 124.11
Names & synonyms
4-Fluorobenzaldehyde459-57-4p-FluorobenzaldehydeBenzaldehyde, 4-fluoro-Benzaldehyde, p-fluoro-DTXSID0038756NSC-68095N8681893GADTXCID8018756RefChem:858068207-293-6para-Fluorobenzaldehyde
Show more names
PFBAPFADNSC 68095JACS-459-57-4AKOS BBS-000031664-Fluorbenzaldehydp-Fluoro benzaldehy
MFCD000033784-flurobenzaldehyde4-fluoro-benzaldehydeCHEMBL3183207Benzaldehyde-2,3,5,6-d4, 4-fluoro-p-fluorbenzaldehydeUNII-N8681893GA4fluorobenzaldehyde
Database identifiers
- CAS
459-57-4- PubChem CID
- 68023
- DTXSID
DTXSID0038756- ChEMBL
CHEMBL3183207- UNII
- N8681893GA
- EC Number
- 207-293-6
- Nikkaji
- J30.718A
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 95.1
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- -10 °C · -10 °C (lit.)
- Boiling point
- 181 °C/758 · 181 °C/758 mmHg (lit.)
- Density
- 1.157 g/mL · 1.157 g/mL at 25 °C (lit.)
- vapor pressure
- 19 hPa · 19 hPa (70 °C)
- refractive index
- 20 · n20/D 1.521(lit.)
- Flash point
- 134 °F · 134 °F
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- Chloroform, Methanol
- form
- Liquid
- color
- Clear colorless to yellow
- Specific Gravity
- 1.157 · 1.157
- Water Solubility
- IMMISCIBLE
- Sensitive
- Air Sensitive
- BRN
- 385857 · 385857
- Stability
- Air Sensitive
- InChI
- 1S/C7H5FO/c8-7-3-1-6(5-9)2-4-7/h1-5H
- InChIKey
- UOQXIWFBQSVDPP-UHFFFAOYSA-N
- SMILES
- [H]C(=O)c1ccc(F)cc1
- CAS DataBase Reference
- 459 · 459-57-4(CAS DataBase Reference)
- FDA UNII
- 8681893 GA · N8681893GA
- NIST Chemistry Reference
- 4 · Benzaldehyde, 4-fluoro-(459-57-4)
- EPA Substance Registry System
- 4 · Benzaldehyde, 4-fluoro- (459-57-4)
- UNSPSC Code
- 12352114 · 12352114
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Warning
- Hazard statements
- 226 · H226-H315-H319-H335
- Precautionary statements
- 210 · P210-P233-P240-P241-P303+P361+P353-P305+P351+P338
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi,F
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36-37/39-36/37/39-27
- RIDADR
- 1989 · UN 1989 3/PG 3
- WGK Germany
- 2 · 2
- F
- 9 · 9-23
- Hazard Note
- Flammable
- TSCA
- TSCA listed
- HazardClass
- 3.2 · 3.2
- PackingGroup
- III
- HS Code
- 29130000 · 29130000
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 4 OralAquatic · Acute Tox. 4 OralAquatic Chronic 2Eye Irrit. 2Flam. Liq. 3
- REACH Registrations
- Active
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
GHS classification
GHS Classification
Warning
H226 (82.4%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 74 reports by companies from 17 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H226: Flammable liquid and vapor [Warning Flammable liquids]
Hazard information
Regulatory Information
Chemical: Benzaldehyde, 4-fluoro-
Status: Active Update: 02-06-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/20621
4-Fluorobenzaldehyde: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Flam. Liq. 3 (82.4%)
Flammable liquids - Category 3
Safety data
- F
- 9-23
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 1989 3/PG 3
- hs_code
- 29130000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xi,F
- hazard_note
- Flammable
- safety_code
- 26-36-37/39-36/37/39-27
- hazard_class
- 3.2
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- Hazard statements
- H226-H315-H319-H335
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 4 OralAquatic Chronic 2Eye Irrit. 2Flam. Liq. 3
- Precautionary statements
- P210-P233-P240-P241-P303+P361+P353-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzaldehyde, 4-fluoro-: ACTIVE
Applications
UsesUsually used in the preparation of pyrazolopyridine UR-13756.
Uses4-Fluorobenzaldehyde is used in the preparation of pyrazolopyridine derivative, which finds application as mitogen-activated protein kinase (MAPK) inhibitor. It also serves as a synthetic intermediate in the preparation of pharmaceutical compounds.
Uses4-Fluorobenzaldehyde is a fluorinated benzaldehyde with inhibitory activity of mushroom tyrosinase. 4-Fluorobenzaldehyde is commonly used as a synthetic intermediate in the preparation of pharmaceutic al compounds.
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]
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]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [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]
池州捷峰生物科技有限公司0566-8928158 · [email protected]
上海攀鸿化工科技有限公司021-56491756 13512199871 · [email protected]
孝感深远化工有限公司15527621225; 15527621225 · [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]
南京斯贝源医药科技有限公司+86-25-68710855, +86-25-68710897 · [email protected]
南京维奥化工有限公司Please Send Email 18652950785 · [email protected]
河南多贝化工有限公司0370-2785118 17550508557 · [email protected]
斯百全化学（上海）有限公司021-021-021-67601398-809-809-809 15221380277 · [email protected]
泰州志诚化工科技有限公司0523-82837785 13914525028 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [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]
上海遐瑞医药科技有限公司+86 21 61551611
南京诺利斯医药科技有限公司13901585132 · [email protected]
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
上海诺宝化工有限公司+86(0)21 60484900
深圳康特腾科技有限公司86-0755-86635001 · [email protected]
越林试剂021-62960152 · [email protected]
苏州安尼康药物研发有限公司0512-69369885 · [email protected]
湖南复瑞生物医药技术有限责任公司15901640172，19275032510 15901640172 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
无锡中坤生化科技有限公司+86 0510-85629785
上海洪创医药科技有限公司18151128828 · [email protected]
北京环宇世纪化学科技有限公司hysj_bj.com
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]
Related reactions
1,520 records
Linked notes
Loading…