PAC Database - Detailed Chemical Data
Chemical Identity
| Chemical | CAS# | UN# | Health Code Numbers | |||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Benzene, 1-(chloromethyl)-4-nitro-; (p-Nitrobenzyl chloride) | 100-14-1 | 8027 |
14.01
14.02
11.01
11.00
4.07
10.00
3.07
3.02
|
|||||||||
| Formula | Synonyms | |||||||||||
| C7H6ClNO2 | BENZENE, 1-(CHLOROMETHYL)-4-NITRO-, 1-(CHLOROMETHYL)-4-NITROBENZENE, 1-CHLOROMETHYL-4-NITROBENZENE, 4-(CHLOROMETHYL)NITROBENZENE, 4-NITROBENZYL CHLORIDE, 4-NITROPHENYLMETHYL CHLORIDE, ALPHA-CHLOR0-P-NITROTOLUENE, ALPHA-CHLORO-4-NITROTOLUENE, ALPHA-CHLORO-NITROTOLUENE, ALPHA-CHLORO-P-NITROTOLUENE, P-(CHLOROMETHYL)NITROBENZENE, P-NITROBENZYL CHLORIDE, TOLUENE, ALPHA-CHLORO-P-NITRO- | |||||||||||
Physical Properties
| Mol Wt | State | MP (°C) | BP (°C) | VP (Hg) | VP (°C) | SG | LEL (ppm) |
|---|---|---|---|---|---|---|---|
| 171.59 | S | 71 | 230 | 0.05 | 25 |
PAC Values
| PAC-1 | PAC-2 | PAC-3 |
|---|---|---|
| 0.18 | 2.0 | 12 |
| PAC-1 | PAC-2 | PAC-3 |
|---|---|---|
| 0.026 | 0.28 | 1.7 |
Technical Basis
A review of available resources identified rat LD50 and LCLo toxicity data. 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 based on the hierarchies stated in Sections 3.3.1, 3.3.2, and evaluated using factors in Tables 3.2, 3.3, and 3.4. The LCLo was selected as the TEEL-3 basis and scaled to a 60-minute equivalent using the ten Berge equation (Section 3.3.4.) TEEL-2 and TEEL-1 were calculated from the TEEL-3 value according to Table 3.5.
• TEEL-1 = TEEL-2/11
• TEEL-2 = TEEL-3/6
• TEEL-3 = Rat 4-hr LCLo (280 mg/m3)
This review generated TEEL values that are significantly more conservative than those in Rev. 29A. The prior TEEL-3 was based on rat oral LD50 (1,809 mg/kg) while the current recommendation is based on higher priority route, inhalation (LCLo > LD50).
• TEEL-1 = TEEL-2/11
• TEEL-2 = TEEL-3/6
• TEEL-3 = Rat 4-hr LCLo (280 mg/m3)
This review generated TEEL values that are significantly more conservative than those in Rev. 29A. The prior TEEL-3 was based on rat oral LD50 (1,809 mg/kg) while the current recommendation is based on higher priority route, inhalation (LCLo > LD50).
References
Rat oral LD50: Inhalation Toxicology., 3(265), 1991 via PubChem; National Center for Biotechnology Information (2023). PubChem Compound Summary for CID 7482, 4-Nitrobenzyl chloride. Retrieved from https://pubchem.ncbi.nlm.nih.gov/compound/4-Nitrobenzyl-chloride
Rat LCLo: Toxicologist., 4(66), 1984 via PubChem; National Center for Biotechnology Information (2023). PubChem Compound Summary for CID 7482, 4-Nitrobenzyl chloride. Retrieved from https://pubchem.ncbi.nlm.nih.gov/compound/4-Nitrobenzyl-chloride