Basic information
- CAS
135132-34-2- Standard SMILES
N#Cc1ccc2c(c1)OC(F)(F)O2- InChIKey
VMJNTFXCTXAXTC-UHFFFAOYSA-N- Molecular formula
- C8H3F2NO2
- Average molar mass
- 183.11 g/mol
- Monoisotopic mass
- 183.01318466
Names & identifiers
- Preferred name
- 2,2-Difluoro-2H-1,3-benzodioxole-5-carbonitrile
- IUPAC
- 2,2-difluoro-1,3-benzodioxole-5-carbonitrile
- English name
- 5-CYANO-2,2-DIFLUORO-1,3-BENZODIOXOLE
- Molecular formula
- C8H3F2NO2
- Molecular weight
- 183.11
Names & synonyms
135132-34-22,2-difluoro-2H-1,3-benzodioxole-5-carbonitrileDTXSID50371732RefChem:243292DTXCID103227652,2-Difluorobenzo[d][1,3]dioxole-5-carbonitrile5-Cyano-2,2-difluoro-1,3-benzodioxole2,2-difluoro-1,3-benzodioxole-5-carbonitrile2,2-difluoro-5-cyano-1,3-benzodioxoleMFCD007924185-cyano1,3-Benzodioxole-5-carbonitrile, 2,2-difluoro-
Show more names
2,2-Difluoro-5-cyano-1,3-benzodioxole97%2,2-Difluoro-5-cyano-1,3-benzodioxole 97%2,2-DIFLUORO-BENZO[1,3]DIOXOLE-5-CARBONITRILE1,3-Benzodioxole-5-carbonitrile,2,2-difluoro-2,2-Difluoro-1,3-benzodioxole-5-carbonitrile96%2,2-Difluoro-1,3-benzodioxole-5-carbonitrile 96%
SCHEMBL5139262VMJNTFXCTXAXTC-UHFFFAOYSA-NSBB089990AKOS005259090FS-1588SY299678DB-008460CS-0207503
Database identifiers
- CAS
135132-34-2
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 42.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 260
Physicochemical properties
- Melting point
- 58 · 58-62°C
- Boiling point
- 205.4 · 205.4±40.0 °C(Predicted)
- Density
- 1.51 · 1.51±0.1 g/cm3(Predicted)
- form
- solid
- InChI
- 1S/C8H3F2NO2/c9-8(10)12-6-2-1-5(4-11)3-7(6)13-8/h1-3H
- InChIKey
- VMJNTFXCTXAXTC-UHFFFAOYSA-N
- SMILES
- FC1(F)Oc2ccc(cc2O1)C#N
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H319
- Precautionary statements
- 301 · P301+P310+P330-P305+P351+P338
- Hazard Codes
- T,Xi
- Risk Statements
- 36 · 36/37/38-36-25
- Safety Statements
- 26 · 26-36/37/39-45
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
H301 (97.5%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (97.5%)
Safety data
- wgk
- 3
- ridadr
- 3439
- hs_code
- 2932990090
- risk_code
- 36/37/38-36-25
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T,Xi
- safety_code
- 26-36/37/39-45
- hazard_class
- TOXIC
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H301-H319
- Hazard Classifications
- Acute Tox. 3 OralEye Irrit. 2
- Precautionary statements
- P301+P310+P330-P305+P351+P338
Chemistry & industry
Suppliers21 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海洪创医药科技有限公司18151128828 · [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]
韶远科技(上海)有限公司4000665055 · [email protected]
南京世洲生物科技有限公司025-85563444 18351873721 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
上海珂华生物科技有限公司021-58581007 18019463053 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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