2,2-Difluorobenzo[d][1,3]dioxol-5-ol

HCID 67356342
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Basic information

CAS
1211539-82-0
Standard SMILES
Oc1ccc2c(c1)OC(F)(F)O2
InChIKey
GEHVTOIGEVNIEQ-UHFFFAOYSA-N
Molecular formula
C7H4F2O3
Average molar mass
174.1 g/mol
Monoisotopic mass
174.01285031

Names & identifiers

Preferred name
2,2-Difluorobenzo[d][1,3]dioxol-5-ol
IUPAC
2,2-difluoro-1,3-benzodioxol-5-ol
English name
2,2-Difluoro-1,3-benzodioxol-5-ol
Molecular formula
C7H4F2O3
Molecular weight
174.1

Names & synonyms

2,2-difluorobenzo[d][1,3]dioxol-5-ol1211539-82-02,2-difluorobenzo(d)(1,3)dioxol-5-olRefChem:441111828-148-92,2-difluoro-1,3-benzodioxol-5-ol2,2-Difluorobenzodioxol-5-olMFCD224144992,2-difluoro-2H-1,3-benzodioxol-5-olSCHEMBL2303611LYB539822,2-difluoro-1,3-dioxaindan-5-ol
Show more names
AKOS0240563871,3-Benzodioxol-5-ol, 2,2-difluoro-DS-10140SY126916DB-292105CS-0101644EN300-4361425F605890

Database identifiers

CAS
1211539-82-0
PubChem CID
67356342
EC Number
828-148-9

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
38.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
0
Heavy atoms
12

Physicochemical properties

storage temp.
2 · under inert gas (nitrogen or Argon) at 2-8°C
form
solid
color
White to off-white
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (50%)；Eye Irrit. 2A (50%)；STOT SE 3 (50%)

Safety data

hs_code
2932990090
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Applications

Uses2,2-Difluorobenzodioxol-5-ol is used in the preparation of isobenzofuro[6,5-f][1,3]benzodioxolones as small molecule inhibitor of insulin-like growth factor-1 receptor.

Upstream & downstream products

Suppliers28 total

杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
安徽合诺生物科技有限公司0555-2761852

Related reactions

4 records
New reaction record

Compound notes

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