Basic information
- CAS
672-57-1- Standard SMILES
FC(F)(F)c1ccc(Cl)c(I)c1- InChIKey
SSLWFPKNYZEOTH-UHFFFAOYSA-N- Molecular formula
- C7H3ClF3I
- Average molar mass
- 306.45 g/mol
- Monoisotopic mass
- 305.89201
Names & identifiers
- Preferred name
- 1-Chloro-2-iodo-4-(trifluoromethyl)benzene
- IUPAC
- 1-chloro-2-iodo-4-(trifluoromethyl)benzene
- English name
- 4-Chloro-3-iodobenzotrifluoride
- Molecular formula
- C7H3ClF3I
- Molecular weight
- 306.45
Names & synonyms
1-Chloro-2-iodo-4-(trifluoromethyl)benzeneEINECS 211-593-2DTXSID10217480NSC 89703RefChem:431225DTXCID10139971211-593-2672-57-14-Chloro-3-iodobenzotrifluorideMFCD00001037Benzene, 1-chloro-2-iodo-4-(trifluoromethyl)-3-IODO-4-CHLOROBENZOTRIFLUORIDE
Show more names
2-chloro-3,5-dinitrobenzamide4-chloro-3-iodotrifluorotoluene3-iodo-4-chloro-trifluorotoluene4-Chloro-3-iodobenzotrifluoride98%4-Chloro-3-iodobenzotrifluoride,99%4-Chloro-3-iodobenzotrifluoride 98%4-Chloro-3-iodobenzotrifluoride, tech4-chloro-3-iodo-trifluoromethylbenzene
NSC89703SCHEMBL82230SCHEMBL36208047AC8489NSC-89703AKOS0158903594-Chloro-3-iodobenzotrifluoride, 98%CS-W013964
Database identifiers
- CAS
672-57-1- PubChem CID
- 69596
- DTXSID
DTXSID10217480
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 159
Physicochemical properties
- Boiling point
- 58 · 58-60 °C/0.5 mmHg (lit.)
- Density
- 1.973 g/mL · 1.973 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.54(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · 2-8°C(protect from light)
- form
- liquid
- color
- Light yellow
- Specific Gravity
- 1.973 · 1.973
- Sensitive
- Light Sensitive
- BRN
- 1870212 · 1870212
- InChI
- 1S/C7H3ClF3I/c8-5-2-1-4(3-6(5)12)7(9,10)11/h1-3H
- InChIKey
- SSLWFPKNYZEOTH-UHFFFAOYSA-N
- SMILES
- FC(F)(F)c1ccc(Cl)c(I)c1
- CAS DataBase Reference
- 672 · 672-57-1(CAS DataBase Reference)
- NIST Chemistry Reference
- 4 · 4-Chloro-3-iodobenzotrifluoride(672-57-1)
- UNSPSC Code
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
H302 (89.1%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (89.1%)
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 3265 8/PG 2
- hs_code
- 29039990
- risk_code
- 22-34
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- C,Xn,Xi
- hazard_note
- Irritant
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- III
- Hazard statements
- H302-H314-H315-H319
- Limited Quantities
- 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Chemistry & industry
Applications
Uses4-Chloro-3-iodobenzotrifluoride may be used in chemical synthesis.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers87 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海衡新化工科技有限公司13917104483; 13917104483 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海赫文斯化工有限公司15721252604 17321035817 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
河北枫嘉新材料科技有限公司+86-0311-87836622 +86-18712993135 · [email protected]
Related reactions
7 records
Compound notes
Loading…