UCSF

ZINC02555344

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 10 No

Popular Name: Ethyl 3-isocyanatopropionate Ethyl 3-isocyanatopropionate

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CAS Numbers: 5100-34-5 , [5100-34-5]

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) 0.27 0.94 -4.94 0 4 0 56 143.142 5 ↓

Vendor Notes

Note Type Comments Provided By
BP [°C] 68 (p=2 torr) Acros Organics
Boiling_Point 74-75?/4mm Alfa-Aesar
Boiling_Point 74-75°/4mm Alfa-Aesar
Purity 95% Fluorochem
Purity 96% Matrix Scientific
H phrase H312: Harmful in contact with skin Acros Organics
H phrase H312: Harmful in contact with skin; H302: Harmful if swallowed; H332: Harmful if inhaled Acros Organics
Warnings MOISTURE SENSITIVE, TOXIC Matrix Scientific
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; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P304 + P340: IF INHALED: R Acros Organics
R phrase R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. Acros Organics
S phrase S37/39: Wear suitable gloves and eye/face protection. Acros Organics
Warnings Toxic/Moisture Sensitive/Lachrymator Matrix Scientific
Hazard XN: Harmful Acros Organics

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