Basic information
- CAS
157437-25-7- Standard SMILES
OCc1cccc2c1OC(F)(F)O2- InChIKey
VHULACBMFYTQMM-UHFFFAOYSA-N- Molecular formula
- C8H6F2O3
- Average molar mass
- 188.13 g/mol
- Monoisotopic mass
- 188.02850037
Names & identifiers
- Preferred name
- 2,2-Difluoro-1,3-benzodioxole-4-methanol
- IUPAC
- (2,2-difluoro-1,3-benzodioxol-4-yl)methanol
- English name
- 1,3-Benzodioxole-4-methanol, 2,2-difluoro-
- Molecular formula
- C8H6F2O3
- Molecular weight
- 188.13
Names & synonyms
157437-25-7(2,2-DIFLUORO-2H-1,3-BENZODIOXOL-4-YL)METHANOL2,2-Difluoro-1,3-benzodioxole-4-methanolDTXSID801274672RefChem:440941DTXCID101705222824-958-14-HYDROXYMETHYL-2,2-DIFLUORO-1,3-BENZODIOXOLE(2,2-DIFLUORO-1,3-BENZODIOXOL-4-YL)METHANOL2,2-Difluoro-4-(hydroxymethyl)-1,3-benzodioxole(2,2-Difluorobenzo[d][1,3]dioxol-4-yl)methanol1,3-Benzodioxole-4-methanol, 2,2-difluoro-
Show more names
4-Hydroxymethyl-2,2-diflu...(2,2-Difluorobenzo[d][1,3]dioxol-4-yl)
MFCD06202698(2,2-DIFLUORO-BENZO[1,3]DIOXOL-4-YL)-METHANOL1,3-BenzodiSCHEMBL7651499VHULACBMFYTQMM-UHFFFAOYSA-NHGA43725AKOS006294228PB27721
Database identifiers
- CAS
157437-25-7- PubChem CID
- 11074155
- DTXSID
DTXSID801274672- EC Number
- 824-958-1
- Nikkaji
- J1.878.332K
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 198
Physicochemical properties
- Boiling point
- 234 · 234.0±40.0 °C(Predicted)
- Density
- 1.51 · 1.51±0.1 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- 14.24 · 14.24±0.10(Predicted)
- form
- solid
- Appearance
- White to off-white Solid
- InChI
- 1S/C8H6F2O3/c9-8(10)12-6-3-1-2-5(4-11)7(6)13-8/h1-3,11H,4H2
- InChIKey
- VHULACBMFYTQMM-UHFFFAOYSA-N
- SMILES
- OCC1=CC=CC(O2)=C1OC2(F)F
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- RIDADR
- 2811 · UN2811
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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- ridadr
- UN2811
- hs_code
- 2932990090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 3 Oral
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers26 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
Aladdin Scientific[email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
学研惠（武汉）科技有限公司15727060112 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
金瓯生物医药（南京）有限公司13000000000 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
北京汇科盈生物科技有限公司15210661751 · [email protected]
浙江泽天精细化工有限公司0571-87322520 18957127338 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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