PAC Database - Detailed Chemical Data

Chemical Identity
Chemical CAS# UN# Health Code Numbers
Bromotoluene, A-; (Benzyl bromide) 100-39-0 1737
11.01
14.01
14.02
4.07
7.01





Formula Synonyms
C7.H7.Br BENZYL BROMIDE, (BROMOMETHYL)BENZENE, (BROMOPHENYL)METHANE, ALPHA-BROMO-TOLUENE, ALPHA-BROMOTOLUENE, BENZENE, (BROMOMETHYL)-, BROMOPHENYLMETHANE, BROMOTOLUENE, ALPHA, BROMURE DE BENZYLE (DOT FRENCH), BROMURO DE BENCILO (DOT SPANISH), OMEGA-BROMOTOLUENE, P-(BROMOMETHYL)NITROBENZENE, PHENYLMETHYL BROMIDE, TOLUENE, ALPHA-BROMO-, UN 1737
Physical Properties
Mol Wt State MP (°C) BP (°C) VP (Hg) VP (°C) SG LEL (ppm)
171.05 L 201 0.45 25 1.738
PAC Values
PAC Values (Original Units: mg/m3)
PAC-1 PAC-2 PAC-3
2.4 26 160
Converted PAC Values (ppm)
PAC-1 PAC-2 PAC-3
0.34 3.7 23
Technical Basis
A review of available sources did not identify exposure limits or acute toxicity data for alpha-bromotoluene. Analysts identified available acute toxicity data for a structurally similar chemical, m-bromotoluene (C7H7Br, CASRN: 591-17), including doses for rat (LC50) and mouse (LD50, intraperitoneal and oral routes). Data sources were selected according to the hierarchy listed in Table 3.1. Toxicity data were selected according to type of exposure, species, and route according to the hierarchies stated in Sections 3.3.1, 3.3.2, and evaluated using factors in Tables 3.2, 3.3, and 3.4. Although an inhalation route is preferred, the rat LC50 was an incomplete record because the source and duration of exposure could not be verified (Section 3.3.1). Instead, a mouse oral LD50 for m-bromotoluene was selected as the TEEL-3 basis (Section 3.4.6). TEEL-2 and TEEL-1 values were derived according to Table 3.5.
• TEEL-1 = TEEL-2/11
• TEEL-2 = TEEL-3/6
• TEEL-3 = Mouse oral LD50 (m-bromotoluene, CASRN: 591-17-3, 1436 mg/kg)
This review generated TEEL values inconsistent with Rev. 29A. The Rev. 29A TEEL-3 basis was a rabbit LCLo not found during the current review. Instead, the mouse LD50 with the most preferred route (oral > intraperitoneal) was selected as the TEEL-3 basis. The Rev. 29A and current TEEL-2/TEEL-1 values used the same methodology, with differences due to the change in TEEL-3.
References
A-bromotoluene chemical information: https://pubchem.ncbi.nlm.nih.gov/compound/Benzyl-bromide
m-bromotoluene chemical information: https://pubchem.ncbi.nlm.nih.gov/compound/3-Bromotoluene
Mouse oral LD50 oral, m-bromotoluene (CASRN: 591-17-3): Gigiena i Sanitariya. 44(12)(19), 1979. Retrieved from: https://pubchem.ncbi.nlm.nih.gov/compound/3-Bromotoluene
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