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CAS 118-91-2 2-Chlorobenzoic Acid Zone Refined (number of passes:20) molecular structure lightbox
CAS RN: 118-91-2

2-Chlorobenzoic Acid Zone Refined (number of passes:20)

Product Availability

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6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250902 100g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250929 100g In stock Shanghai, Shandong, Hebei Inquiry
Batchno.20251026 10kg In stock Shanghai Inquiry
Batchno.20251202 2.5kg In stock Shanghai, Shandong Inquiry
Batchno.20250606 25g In stock Shanghai, Shandong, Guangdong, Chongqing Inquiry
Batchno.20250408 500g In stock Shanghai, Shandong, Chongqing, Hebei Inquiry
  • Product code: SSC-017871
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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: 100g, 500g, 1000g
  • 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 118-91-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g >98% 0 Out of Stock Shanghai Inquiry
500g >98% 0 Out of Stock Beijing Inquiry
1000g >98% 0 Out of Stock Hong Kong Inquiry

118-91-2 / 2-chlorobenzoic acid

2-Chlorobenzoic acid | O-CHLOROBENZOIC ACID | Benzoic acid, 2-chloro-

Standard CAS: 118-91-2 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
118-91-2
Multi CAS
Yes
Molecular Formula
C7H5ClO2
Molecular Weight
156.560000
Exact Mass
155.997807
SMILES
C1=CC=C(C(=C1)C(=O)O)Cl
InChI
InChI=1S/C7H5ClO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)
InChIKey
IKCLCGXPQILATA-UHFFFAOYSA-N
Synonyms
2-Chlorobenzoic acid O-CHLOROBENZOIC ACID Benzoic acid, 2-chloro- 2-Cba Benzoic acid, o-chloro-

Physical Properties

Melting Point
288 °F (NTP, 1992) 142 °C
Boiling Point
Sublimes (NTP, 1992)
Density
1.544 at 68 °F (NTP, 1992) - Denser than water; will sink 1.544 AT 20 °C/4 °C
Physical Description
Crystals or fine fluffy white powder. (NTP, 1992) Solid; [Merck Index] White powder
Appearance
MONOCLINIC PRISMS FROM WATER
State
Solid
Storage Conditions
STORAGE PRECAUTIONS: You should store this chemical under refrigerated temperatures, and keep it away from oxidizing materials. (NTP, 1992)

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
38.41
TPSA
37.3

LogP / Solubility

WLOGP
2.04
MLOGP
1.79
XLogP3
2.1
Consensus LogP
1.98
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.32
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.49
Class (SILICOS-IT)
Moderately 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)
-2.23

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant Health Hazard
Signal
Warning Danger
GHS Hazard Statements
H302 (17.1%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (59.9%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (82.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (53.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 P260, P261, P264, P270, P271, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P405, and P501

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