Basic information
- CAS
697-17-6- Standard SMILES
FC1(F)CC(Cl)(Cl)C1(F)Cl- InChIKey
YMUQFZZNJWUHMC-UHFFFAOYSA-N- Molecular formula
- C4H2Cl3F3
- Average molar mass
- 213.41 g/mol
- Monoisotopic mass
- 211.91741776
Names & identifiers
- Preferred name
- 1,1,2-Trichloro-2,3,3-trifluorocyclobutane
- IUPAC
- 1,1,2-trichloro-2,3,3-trifluorocyclobutane
- English name
- 1,1,2-TRICHLORO-2,3,3-TRIFLUOROCYCLOBUTANE
- Molecular formula
- C4H2Cl3F3
- Molecular weight
- 213.41
Names & synonyms
1,1,2-Trichloro-2,3,3-trifluorocyclobutane697-17-6EINECS 211-804-8DTXSID50989856RefChem:70905DTXCID901416966211-804-8MFCD000394392,3,3-trichloro-1,1,2-trifluorocyclobutaneSCHEMBL3284653SBB094838AKOS015850459
Show more names
1,2,2-Trifluoro-1,4,4-trichlorocyclobutane1,1,2-Trifluoro-2,3,3-trichlorocyclobutane2,3,3-TRIFLUORO-1,1,2-TRICHLORO CYCLOBUTANE1,1,2-Trichloro-2,3,3-trifluorocyclobutane97%1,1,2-Trichloro-2,3,3-trifluorocyclobutane 97%1,1,2-TRICHLORO-2,3,3-TRIFLUOROCYCLOBUTANE ISO 9001：2015 REACH
DB-0186831,1,2 trichloro-2,3,3-trifluorocydobutaneNS00041935ST504052511,1,2 trichloro-2,3,3-trifluorocyclobutane1,1,2-trichloro-2,3,3-trifluoro-cyclobutaneCyclobutane, 1,1,2-trichloro-2,3,3-trifluoro-F001526
Database identifiers
- CAS
697-17-6- PubChem CID
- 79099
- DTXSID
DTXSID50989856
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 169
Physicochemical properties
- Boiling point
- 120 °C · 120 °C(lit.)
- Density
- 1.594 g/mL · 1.594 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.416(lit.)
- Flash point
- 119 · 119-120°C
- Specific Gravity
- 1.594 · 1.594
- BRN
- 1905850 · 1905850
- InChI
- 1S/C4H2Cl3F3/c5-2(6)1-3(8,9)4(2,7)10/h1H2
- SMILES
- ClC1(Cl)C(F)(Cl)C(F)(F)C1
- CAS DataBase Reference
- 697 · 697-17-6(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332
- Precautionary statements
- 261 · P261-P280h
- target organs
- Respiratory system
- Hazard Codes
- Xn,Xi
- Risk Statements
- 20 · 20/21/22-36/37
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- ridadr
- 2810
- hs_code
- 29035980
- risk_code
- 20/21/22-36/37
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- hazard_note
- Irritant
- safety_code
- 26-36
- hazard_class
- 6.1
- Storage Class
- 10 - Combustible liquids
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H302-H312-H332
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2STOT SE 3
Chemistry & industry
Suppliers16 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [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]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
广州市金华大化学试剂有限公司020-84383047 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
广东翁江化学试剂有限公司0751-2815688 13927872512 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Related reactions
9 records
Compound notes
Loading…