UCSF

ZINC00388156

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 9 Yes

Popular Name: 2-Chloro-4-methylaniline 2-Chloro-4-methylaniline

Find On: PubMed — Wikipedia — Google

CAS Numbers: 615-65-6 , [615-58-7] , [615-65-6]

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) 2.48 3.61 -2.6 2 1 0 26 141.601 0 ↓

Vendor Notes

Note Type Comments Provided By
BP [°C] 223 - 225 Acros Organics
Boiling_Point 223-225? Alfa-Aesar
Boiling_Point 223-225° Alfa-Aesar
BP 224 TCI
Mp [°C] 7 Acros Organics
Melting_Point 7? Alfa-Aesar
Melting_Point 7° Alfa-Aesar
Purity 98% Fluorochem
H phrase H312: Harmful in contact with skin; H302: Harmful if swallowed; H332: Harmful if inhaled; H318: Causes serious eye damage; H315: Causes skin irritation Acros Organics
H phrase H335: May cause respiratory irritation Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P310: Immediately call a POISON CENTER or doctor/physician; P280: Wear protective gloves/protective clothing/eye protection/face protection; P264: Wash face, hands and any exposed skin thoroughly afte Acros Organics
R phrase R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.; R38: Irritating to skin.; R41: Risk of serious damage to eyes. Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
S phrase S37/39: Wear suitable gloves and eye/face protection. Acros Organics
Hazard XN: Harmful Acros Organics

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