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CAS 108078-14-4 2-IODO-3-METHYLBENZOIC ACID molecular structure lightbox
CAS RN: 108078-14-4

2-IODO-3-METHYLBENZOIC ACID

Product Availability

Choose a grade to view its available package options.

11 package records10 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251123 100g In stock Inquiry
Batchno.20260415 10g In stock Inquiry
Batchno.20250203 1g In stock Inquiry
Batchno.20250907 25g In stock Inquiry
Batchno.20250110 500g Out of stock Inquiry
Batchno.20260307 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250317 100g In stock Shanghai Inquiry
Batchno.20260601 10g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250903 25g In stock Shanghai, Shenzhen, Wuhan Inquiry
Batchno.20260105 500g In stock Shanghai Inquiry
Batchno.20250627 5g In stock Shanghai, Tianjin, Chengdu Inquiry
  • Product code: SSC-009357
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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: 25g
  • Available purity: ＞97%
  • 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 108078-14-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Hong Kong Inquiry

108078-14-4 / 2-iodo-3-methylbenzoic acid

2-Iodo-3-methylbenzoic acid | DTXSID50374763 | RefChem:262170

Standard CAS: 108078-14-4 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
108078-14-4
Multi CAS
Yes
Molecular Formula
C8H7IO2
Molecular Weight
262.040000
Exact Mass
261.949080
SMILES
CC1=C(C(=CC=C1)C(=O)O)I
InChI
InChI=1S/C8H7IO2/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4H,1H3,(H,10,11)
InChIKey
PZUXUOZSSYKAMX-UHFFFAOYSA-N
Synonyms
2-Iodo-3-methylbenzoic acid DTXSID50374763 RefChem:262170 DTXCID30325793 675-836-8

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
50.86
TPSA
37.3

LogP / Solubility

WLOGP
2.3
MLOGP
2.03
XLogP3
2.5
Consensus LogP
2.28
Log S (ESOL)
-3.25
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.37
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.39
Class (SILICOS-IT)
Poorly 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)
-2.69

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (88.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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