UCSF

ZINC01995215

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2004 13 No

Popular Name: 4-tert-Butylbenzoyl chloride 4-tert-Butylbenzoyl chloride

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1710-98-1 , 20451-50-7 , [1710-98-1]

Download: MOL2 SDF SMILES Flexibase

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) 4.10 7.07 -3.46 0 1 0 17 196.677 2 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 125-126?/10mm Alfa-Aesar
Boiling_Point 125-126°/10mm Alfa-Aesar
BP [°C] 135 (p=20 torr) Acros Organics
Purity 98% Fluorochem
Hazard C: Corrosive Acros Organics
H phrase H332: Harmful if inhaled Acros Organics
H phrase H332: Harmful if inhaled; H318: Causes serious eye damage; H302: Harmful if swallowed; H312: Harmful in contact with skin; H314: Causes severe skin burns and eye damage; EUH029: Contact with water liberates toxic gas Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P280: Wear eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water Acros Organics
R phrase R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. Acros Organics
R phrase R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.; R29: Contact with water liberates toxic gas.; R34: Causes burns. Acros Organics
S phrase S8: Keep container dry. Acros Organics
S phrase S8: Keep container dry.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S45: In case of accident or if you feel unwell, see Acros Organics

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