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CAS 7474-05-7 (R)-(+)-2-Chloropropionic Acid molecular structure lightbox
CAS RN: 7474-05-7

(R)-(+)-2-Chloropropionic Acid

  • Product code: SSC-184208
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 500g
  • Available purity: ≥98%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 7474-05-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
500g ≥98% 0 Out of Stock Hong Kong Inquiry

7474-05-7 / 2-chloropropanoic acid

Standard CAS: 7474-05-7 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
7474-05-7
Multi CAS
Yes
Molecular Formula
C3H5CLO2
Molecular Weight
108.520000
Exact Mass
107.997807
InChI
InChI=1S/C3H5ClO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)
InChIKey
GAWAYYRQGQZKCR-UHFFFAOYSA-N

Physical Properties

Melting Point
-12.1 °C -12 °C
Boiling Point
366 °F at 760 mmHg (USCG, 1999) 187 °C 186 °C 366 °F
Density
1.2585 at 68 °F (USCG, 1999) - Denser than water; will sink 1.2585 @ 20 °C/4 °C 1.3 g/cm³ Relative density of the vapour/air-mixture at 20 °C (air = 1): 1.001 1.2585
Physical Description
Chloropropionic acid appears as a colorless to white colored crystalline solid. Denser than water. Contact may irritate skin, eyes and mucous membranes. May be toxic by ingestion, inhalation and skin absorption. Used to make other chemicals. 2-chloropropionic acid appears as a pale liquid with a slight odor. Sinks in and mixes with water. Only aluminum, stainless steel or steel covered with a protective lining or coating may contact the liquid or vapor. Pale liquid with a slight odor; [CAMEO] COLOURLESS-TO-YELLOW LIQUID WITH PUNGENT ODOUR. A pale liquid with a slight odor.
Appearance
CRYSTALS
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
22.95
TPSA
37.3

LogP / Solubility

WLOGP
0.7
MLOGP
0.6
XLogP3
0.8
Consensus LogP
0.7
Log S (ESOL)
-0.89
Class (ESOL)
Very soluble
Log S (Ali)
-0.95
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.06
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.89

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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