Basic information
- CAS
350-30-1- Standard SMILES
O=[N+]([O-])c1ccc(F)c(Cl)c1- InChIKey
DPHCXXYPSYMICK-UHFFFAOYSA-N- Molecular formula
- C6H3ClFNO2
- Average molar mass
- 175.54 g/mol
- Monoisotopic mass
- 174.98363424
Names & identifiers
- Preferred name
- 2-Chloro-1-fluoro-4-nitrobenzene
- IUPAC
- 2-chloro-1-fluoro-4-nitrobenzene
- English name
- 3-Chloro-4-fluoronitrobenzene
- Molecular formula
- C6H3ClFNO2
- Molecular weight
- 175.54
Names & synonyms
3-Chloro-4-fluoronitrobenzene350-30-12-Chloro-1-fluoro-4-nitrobenzeneEINECS 206-499-3DTXSID6049278UNII-8H6U84X075NSC 163894NSC-163894BRN 1944997DTXCID50291348H6U84X075DPHCXXYPSYMICK-UHFFFAOYSA-
Show more names
3-Chloro-4-fluoronitGefitinib Impurity 923-chloro-4-fluorobenzene3-Chloro-4-fluoronitrobenzen3-CHLORO-4-FLUORONITROANILINE3-chioro-4-fluoronitrobenzene
4-05-00-00725 (Beilstein Handbook Reference)RefChem:86125206-499-3DPHCXXYPSYMICK-UHFFFAOYSA-NInChI=1/C6H3ClFNO2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3HBenzene, 2-chloro-1-fluoro-4-nitro-1-chloro-2-fluoro-5-nitrobenzene4-fluoro-3-chloronitrobenzene
Database identifiers
- CAS
350-30-1- PubChem CID
- 67688
- DTXSID
DTXSID6049278- ChEMBL
CHEMBL167472- UNII
- 8H6U84X075
- EC Number
- 206-499-3
- Nikkaji
- J135.058G
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 161
Experimental & physicochemical properties
SpringerMaterials Properties19F nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 40 · 40-42 °C(lit.)
- Boiling point
- 227 · 227-232°C
- Density
- 1.61 · 1.61
- Flash point
- 230 °F · >230 °F
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- soluble in Methanol
- form
- powder to crystal
- color
- White to Light yellow to Green
- BRN
- 1944997 · 1944997
- InChI
- InChI=1S/C6H3ClFNO2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H
- InChIKey
- DPHCXXYPSYMICK-UHFFFAOYSA-N
- SMILES
- C1(F)=CC=C([N+]([O-])=O)C=C1Cl
- CAS DataBase Reference
- 350 · 350-30-1(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 8 H6U84X075 · 8H6U84X075
- NIST Chemistry Reference
- 3 · 3-Chloro-4-fluoronitrobenzene(350-30-1)
- EPA Substance Registry System
- 3 · 3-Chloro-4-fluoronitrobenzene (350-30-1)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H318-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xn,Xi
- Risk Statements
- 22 · 22-37/38-41-36/37/38-20/21/22
- Safety Statements
- 26 · 26-39-36/37/39
- RIDADR
- 2811 · 2811
- WGK Germany
- 3 · 3
- RTECS
- 720000 · CZ0720000
- Hazard Note
- Irritant
- HazardClass
- 6.1 · 6.1
- PackingGroup
- III
- HS Code
- 29049090 · 29049090
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (12.5%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (12.5%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- rtecs
- CZ0720000
- ridadr
- 2811
- hs_code
- 29049090
- risk_code
- 22-37/38-41-36/37/38-20/21/22
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xn,Xi
- hazard_note
- Irritant
- safety_code
- 26-39-36/37/39
- hazard_class
- 6.1
- Storage Class
- 11 - Combustible Solids
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H318-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Applications
Uses2-Chloro-1-fluoro-4-nitrobenzene is an intermediate used in synthesis of benzoimidolones on Ameba resin and methyl 6,7,8,9-tetrahydropyrido[1,2-a]indol-10-ylacetate.
Uses2-Chloro-1-fluoro-4-nitrobenzene has been used in synthesis of:benzoimidolones on Ameba resinmethyl 6,7,8,9-tetrahydropyrido[1,2-a]indol-10-ylacetate
General Description2-Chloro-1-fluoro-4-nitrobenzene undergoes reduction in the presence of Mo(CO)6 and 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU) under microwave irradiation to yield a mixture of 3-chloro-4-fluoroaniline and 3-chloro-4-ethoxyaniline.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
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]
T&W GROUP021-61551611 13296011611 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
上海赫文斯化工有限公司15721252604 17321035817 · [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]
Syntechem Co.,Ltd[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]
上海相辉医药科技有限公司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]
上海忆嵘生物科技有限公司18049974220 · [email protected]
孝感深远化工有限公司15527621225; 15527621225 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
上海耐士化工科技有限公司400-188-0725 +86 21 34310725 13611771617
天津希恩思生化科技有限公司400 638 7771 · [email protected]
南京维奥化工有限公司Please Send Email 18652950785 · [email protected]
武汉华邦化学新材料有限公司027-83229541 13971313286 · [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]
南京诺利斯医药科技有限公司13901585132 · [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]
深圳康特腾科技有限公司86-0755-86635001 · [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
Clearsynth Labs Limited+91-22-26355700 · [email protected]
上海宸香医药科技有限公司021-20960837 · [email protected]
北京环宇世纪化学科技有限公司hysj_bj.com
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
上海嵩爰化工科技有限公司010-1234567 18521000990 · [email protected]
上海有朋化工有限公司021-69005955 13701776567 · [email protected]
北京海力扬化学科技有限公司13718199399 · [email protected]
北京欣赛维化学科技有限公司010-56218822 13717722232 · [email protected]
四川海诺威科技有限公司13708085536 13708085536 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
上海凯赛化工有限公司021-33516722 13701817765 · [email protected]
上海彤源化工有限公司021-021-69182866 13701855675 · [email protected]
上海孚一生物科技有限公司+86 (21) 61124340
北京华扬致成科技有限公司13716033033 · [email protected]
Related reactions
233 records
Compound notes
Loading…