UCSF

ZINC02041074

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 5 Yes

Other Names:

1,4-epoxy-1,3-butadiene; AI3-24244; Axole; BRN 0103221; CCRIS 3159; Divinylene oxide; EINECS 203-727-3; FURAN; Furan [UN2389] [Flammable liquid]; Furan, stabilized with 0.025 to 0.04% BHT; HSDB 89; LS-495; NCI-C56202; Oxacyclopentadiene; Oxole; RCRA waste

1,4-epoxy-1,3-butadiene; divinylene oxide; oxacyclopentadiene; tetrole

1,4-Epoxy-1,3-butadiene;1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside;Divinylene oxide;Furan;Furane;Furfuran;Furfurane;Nitrofurantoin;Oxacyclopentadiene;Oxole;Tetrole

110-00-9; C14275; Furan

Borane-tetrahydrofuran complex, 1M soln. in THF, packaged under Argon in resealable ChemSeal^t bottles

Borane-tetrahydrofuran complex, 1M soln. in THF, stab. with 5mmol NaBH4

BTHF

CHEBI:34767; CHEBI:30855

Furan, 99%, stab. with ca 250ppm BHT

Furan, 99+%, stabilized

Furan-d4

MFCD00003222

MFCD00005356

MFCD00012429

MFCD00013405

MFCD00044238

MFCD00075149

MFCD00077884

MFCD00145367

Niobium(IV) chloride - tetrahydrofuran complex

Tetrachlorobis(tetrahydrofuran)niobium(IV)

Tetrachlorobis(tetrahydrofuran)titanium(IV)

Tetrachlorobis(tetrahydrofuran)titanium(IV), 98%

Tetrachlorobis(tetrahydrofuran)zirconium(IV)

Tetrahydrofuran

Tetrahydrofuran, 99%, stab. with 250-350ppm BHT

Tetrahydrofuran, ACS

Tetrahydrofuran, ACS, 99+%, stab. with 250ppm BHT

Tetrahydrofuran, anhydrous

Tetrahydrofuran, anhydrous, 99.8+%, unstab.

Tetrahydrofuran, anhydrous, 99.8+%, unstab., packaged under Argon in resealable ChemSeal^t bottles

Tetrahydrofuran, non-UV, HPLC Grade

Tetrahydrofuran, non-UV, HPLC Grade, 99.7+%, stab. with 250ppm BHT

Tetrahydrofuran, Spectrophotometric Grade

Tetrahydrofuran, Spectrophotometric Grade, 99.7+%, unstab.

Tetrahydrofuran, Spectrophotometric grade, 99.7+%, unstab., packaged under Argon in resealable ChemSeal^t bottles

Tetrahydrofuran, UV, HPLC Grade

Tetrahydrofuran, UV, HPLC Grade, 99.7+% min, unstab.

Tetrahydrofuran-d8

Tetrahydrofuran-d8, 100%(Isotopic)

Tetrahydrofuran-d8, 99.5% (Isotopic)

THF

Titanium(IV) chloride - tetrahydrofuran complex

Zirconium(IV) chloride - tetrahydrofuran complex

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.96 2.44 -3.13 0 1 0 13 68.075 0

Vendor Notes

Note Type Comments Provided By
Melting_Point 106? Alfa-Aesar
Melting_Point 106° Alfa-Aesar
Melting_Point 108? Alfa-Aesar
Melting_Point 108° Alfa-Aesar
Mp [°C] 85.6 Acros Organics
Melting_Point 86? Alfa-Aesar
Melting_Point 86° Alfa-Aesar
Melting_Point 126-128? Alfa-Aesar
Melting_Point 126-128° Alfa-Aesar
Melting_Point 175-177? Alfa-Aesar
Melting_Point 175-177° Alfa-Aesar
BP [°C] 31.3 Acros Organics
Boiling_Point 32-33? Alfa-Aesar
Boiling_Point 32-33° Alfa-Aesar
Boiling_Point 66? Alfa-Aesar
Boiling_Point 66° Alfa-Aesar
Melting_Point 93? dec. Alfa-Aesar
Melting_Point 93° dec. Alfa-Aesar
Patent Database Links EP0771800; EP0791849; EP0805190; EP0826685; EP0832967; EP0841063; EP0853083; EP0867437; EP0887340; EP0889044; EP0908457; EP0933354; EP0949262; EP0967205; EP0982029; EP0984012; EP0985662; EP1008296; EP1020190; EP1020445; EP1022026; EP1024138; EP1052238; EP ChEBI
PUBCHEM_PATENT_ID EP0915865A1; WO1998003497A1 IBM Patent Data
Hazard F+: Extremely flammable Acros Organics
Hazard F+: Extremely flammable; T: Toxic Acros Organics
H phrase H341: Suspected of causing genetic defects Acros Organics
H phrase H341: Suspected of causing genetic defects; H373: May cause damage to organs through prolonged or repeated exposure; H315: Causes skin irritation; H332: Harmful if inhaled; H350: May cause cancer; H412: Harmful to aquatic life with long lasting effects; H Acros Organics
P phrase P281: Use personal protective equipment as required Acros Organics
P phrase P281: Use personal protective equipment as required; P201: Obtain special instructions before use; P308 + P313: IF exposed or concerned: Get medical advice/attention; P260: Do not breathe dust/fume/gas/mist/vapors/spray; P273: Avoid release to the environ Acros Organics
R phrase R45: May cause cancer. Acros Organics
R phrase R45: May cause cancer.; R12: Extremely flammable.; R19: May form explosive peroxides.; R20/22: Harmful by inhalation and if swallowed.; R38: Irritating to skin.; R48/22: Harmful : danger of serious damage to health by prolonged exposure if swallowed.; R52 Acros Organics
UniProt Database Links RBSD1_RUBXD; RBSD1_STRGG; RBSD2_RUBXD; RBSD2_STRGG; RBSD_ACIAC; RBSD_ACTP2; RBSD_ACTP7; RBSD_ACTPJ; RBSD_ACTSZ; RBSD_AERHH; RBSD_AERS4; RBSD_ALISL; RBSD_BACA2; RBSD_BACAA; RBSD_BACAC; RBSD_BACAH; RBSD_BACAN; RBSD_BACC0; RBSD_BACC1; RBSD_BACC2; RBSD_BACC3 ChEBI
S phrase S53: Avoid exposure - obtain special instructions before use. Acros Organics
S phrase S53: Avoid exposure - obtain special instructions before use.; S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible).; S61: Avoid release to the environment. Refer to special instructions / safety Acros Organics

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.