PAC Database - Detailed Chemical Data
Chemical Identity
| Chemical | CAS# | UN# | Health Code Numbers | |||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Nitro-m-xylene, 2-; (1,3-Dimethyl-2-nitrobenzene) | 81-20-9 |
13.00
|
||||||||||
| Formula | Synonyms | |||||||||||
| C8.H9.N.O2 | 1,3-DIMETHYL-2-NITROBENZENE, 2,6-DIMETHYLNITROBENZENE, 2-NITRO-1,3-DIMETHYLBENZENE, 2-NITRO-1,3-XYLENE, 2-NITRO-M-XYLENE, M-XYLENE, 2-NITRO- | |||||||||||
Physical Properties
| Mol Wt | State | MP (°C) | BP (°C) | VP (Hg) | VP (°C) | SG | LEL (ppm) |
|---|---|---|---|---|---|---|---|
| 151.18 | S | 226 | 1.112 @ 15°C |
PAC Values
| PAC-1 | PAC-2 | PAC-3 |
|---|---|---|
| 5.1 | 56 | 330 |
| PAC-1 | PAC-2 | PAC-3 |
|---|---|---|
| 0.82 | 9.1 | 53 |
Technical Basis
A review of available sources identified a mouse LD50 for 2-nitro-m-xylene. Reported GHS health hazards (H312, inhalation H332, Category 4) include a mid-to-low level hazard within the range of an HHR=2 to HHR=1 (TEEL-3 = 790 mg/m3 to 7900 mg/m3, respectively). In addition, analysts evaluated available toxicity data for three isomers (4-nitro-m-xylene, CASRN: 89-87-2; 4-dimethyl-2-nitrobenzene, CASRN: 89-58-7; and 3-nitro-o-xylene, CASRN: 83-41-0) for TEEL development (Section 3.4.6). 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. Analysts evaluated to mouse intravenous LD50; this resulted in significantly more conservative TEELs than indicated by reported GHS health hazards.
Considering this, analysts instead selected the lowest reported rat oral LD50, reported in a 1986 for 4-nitro-m-xylene (CASRN: 89-87-2), as the TEEL-3 basis (Section 3.4.6). TEEL-2 and TEEL-1 values were derived according to Table 3.5.
• PAC-1 = TEEL-1 = TEEL-2/11
• PAC-2 = TEEL-2 = TEEL-3/6
• PAC-3 = TEEL-3 = Rat oral LD50 (4-nitro-m-xylene, CASRN: 89-87-2; 1690 mg/kg)
This review generated PAC values inconsistent with Rev. 29A. The Rev. 29A TEEL-3 basis was a rat oral LD50 for an isomer (Section 3.4.6). The Rev. 29A and current TEEL-2 and TEEL-1 use the same methodologies, with difference due to the change in TEEL-3.
Considering this, analysts instead selected the lowest reported rat oral LD50, reported in a 1986 for 4-nitro-m-xylene (CASRN: 89-87-2), as the TEEL-3 basis (Section 3.4.6). TEEL-2 and TEEL-1 values were derived according to Table 3.5.
• PAC-1 = TEEL-1 = TEEL-2/11
• PAC-2 = TEEL-2 = TEEL-3/6
• PAC-3 = TEEL-3 = Rat oral LD50 (4-nitro-m-xylene, CASRN: 89-87-2; 1690 mg/kg)
This review generated PAC values inconsistent with Rev. 29A. The Rev. 29A TEEL-3 basis was a rat oral LD50 for an isomer (Section 3.4.6). The Rev. 29A and current TEEL-2 and TEEL-1 use the same methodologies, with difference due to the change in TEEL-3.
References
Chemical information: https://pubchem.ncbi.nlm.nih.gov/compound/2-Nitro-m-xylene.
Chemical information for 4-nitro-m-xylene (CASRN: 89-87-2): https://pubchem.ncbi.nlm.nih.gov/compound/6991
Chemical information for 1,4-dimethyl-2-nitrobenzene (CASRN: 89-58-7): https://pubchem.ncbi.nlm.nih.gov/compound/6974
Chemical information for 1,2,-dimethyl-3-nitrobenzene (CASNR: 83-41-0): https://pubchem.ncbi.nlm.nih.gov/compound/6739
Mouse intravenous LD50 (40 mg/kg). U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals., NX#00236. Retrieved from: https://pubchem.ncbi.nlm.nih.gov/compound/2-Nitro-m-xylene
Rat oral LD50 from 4-nitro-m-xylene: https://chem.echa.europa.eu/100.001.771/dossier-view/5bac34e4-31c7-4d29-adc5-8c3ff6151293/IUC5-1c82afc0-6623-47d7-9dd7-63077e2a1c1c_ecb7ec2e-bb10-4e72-b76f-be74cd60a348?searchText=Nitro-m-xylene