PAC Database - Detailed Chemical Data

Chemical Identity
Chemical CAS# UN# Health Code Numbers
Benzenesulfonic acid, 5-chloro-2 z-0114
4.00
3.00








Formula Synonyms
C6.H5.Cl.O3.S
Physical Properties
Mol Wt State MP (°C) BP (°C) VP (Hg) VP (°C) SG LEL (ppm)
192.62 S
PAC Values
PAC Values (Original Units: mg/m3)
PAC-1 PAC-2 PAC-3
1.5 17 99
Converted PAC Values (ppm)
PAC-1 PAC-2 PAC-3
0.19 2.2 13
Technical Basis
The chemical identity of this compound is unclear; the CASRN listed does not correspond to a compound in the CAS database. Given the unclear definition, analysts used the available chemical formula and molecular weight from the PAC-TEEL database, which is for a similar chemical 4-chloro-benzenesulfonic acid (CASRN: 98-66-8). A review of available sources did not identify exposure limits or acute toxicity data for 5-chloro-2-benzenesulfonic acid. Instead, the acute toxicity data of a similar chemical 4-chloro-benzenesulfonic acid (CASRN: 98-66-8) was evaluated for TEEL development. A rat oral LD50 was selected as the TEEL-3 basis and evaluated using factors in Tables 3.2, 3.3, and 3.4. TEEL-1 and TEEL-2 values were calculated according to Table 3.5.
• TEEL-1 = TEEL-2/11
• TEEL-2 = TEEL-3/6
• TEEL-3 = Rat oral LD50 (benzenesulfonic acid, 4-chloro, CASRN: 98-66-8, >500 mg/kg)
This review generated TEEL values that are consistent with Rev. 29A*.
References
Chemical information (benzenesulfonic acid, 4-chloro, CASRN: 98-66-8): https://pubchem.ncbi.nlm.nih.gov/compound/4-Chlorobenzenesulfonic-acid.
Rat oral LD50 (benzenesulfonic acid, 4-chloro, CASRN: 98-66-8): Journal of Agricultural and Food Chemistry., 25(501), 1977 [PMID:858843]. Retrieved from: https://pubchem.ncbi.nlm.nih.gov/compound/4-Chlorobenzenesulfonic-acid
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