Bromoform
PubChem CID: 5558
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| Compound Synonyms | Bromoform, tribromomethane, 75-25-2, Methane, tribromo-, Tribrommethan, Methenyl tribromide, Methyl tribromide, Bromoforme, Bromoformio, Tribrommethaan, Tribromometan, CHBr3, Bromoforme [French], Bromoformio [Italian], NCI-C55130, Tribrommethaan [Dutch], Tribrommethan [German], Tribromometan [Italian], RCRA waste number U225, TUT9J99IMU, NSC 8019, DTXSID1021374, CHEBI:38682, BROMOFORM [MI], NSC-8019, BROMOFORM [HSDB], BROMOFORM [IARC], MFCD00000128, BROMOFORM [WHO-DD], BROMOFORM (13C), DTXCID401374, 4471-18-5, NSC8019, Bromoform - Stabilized with ethanol, UN 2515, Tribrommethan (German), BROMOFORM (IARC), BROMOFORME (FRENCH), BROMOFORMIO (ITALIAN), TRIBROMMETHAAN (DUTCH), TRIBROMOMETAN (ITALIAN), CCRIS 98, Bromoform [USP], MBR, Bromoform Solution in Methanol, 1000ug/mL, HSDB 2517, EINECS 200-854-6, UNII-TUT9J99IMU, UN2515, RCRA waste no. U225, BRN 1731048, Tribromomethane, Bromoform, Methenyl tribromide, NSC 8019, bromo form, AI3-28587, methane, tribromo, Tri bromo methane, Tribromomethane, methyl tribromide, methylene tribromide, TRIBROM METHAN, FORMYL TRIBROMIDE, WLN: EYEE, Bromoform, technical grade, Bromoform (ACGIH:OSHA), SCHEMBL18691, 4-01-00-00082 (Beilstein Handbook Reference), BIDD:ER0622, Bromoform, puriss., 97.0%, CHEMBL345248, TRIBROM METHAN (GERMAN), Bromoform [UN2515] [Poison], BCP10566, Bromoform (stabilized with Ethanol), Tox21_200189, R-20B3, Bromoform 100 microg/mL in Methanol, Bromoform, 96%, stab. with ethanol, AKOS009031540, AT27291, Bromoform 5000 microg/mL in Methanol, DB03054, CAS-75-25-2, Bromoform, puriss., >=99.0% (GC), MSK000954-1000M, NCGC00091318-01, NCGC00091318-02, NCGC00257743-01, BP-21414, FB163767, Tribromomethane (stabilized with Ethanol), Tribromomethane 100 microg/mL in Methanol, 1ST000954-1000M, B0806, NS00002299, S0653, T0348, EN300-19388, Bromoform, amylene stabilized, analytical standard, Q409799, Bromoform, contains 1-3% ethanol as stabilizer, 96%, F0001-1896, Bromoform - contains 60-120ppm 2-Methyl-2-butene as stabilizer, BROMOFORM (CONTAINS 60-120PPM 2-METHYL-2-BUTENE AS STABILIZER), Bromoform, contains 60-120 ppm 2-methyl-2-butene as stabilizer, 99%, 200-854-6 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Halogenated hydrocarbons |
| Deep Smiles | BrCBr)Br |
| Heavy Atom Count | 4.0 |
| Classyfire Class | Alkyl halides |
| Classyfire Subclass | Halomethanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 8.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P04637, P10145, P19838 |
| Iupac Name | bromoform |
| Prediction Hob | 1.0 |
| Class | Alkyl halides |
| Veber Rule | True |
| Classyfire Superclass | Organohalogen compounds |
| Xlogp | 2.8 |
| Superclass | Organohalogen compounds |
| Subclass | Halomethanes |
| Gsk 4 400 Rule | True |
| Molecular Formula | CHBr3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DIKBFYAXUHHXCS-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 1.0 |
| Logs | -2.015 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.884 |
| Synonyms | CHBR3, Methyl tribromide, Tribrommethan, Tribromomethane, tribromomethane |
| Esol Class | Soluble |
| Functional Groups | CBr |
| Compound Name | Bromoform |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 251.761 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 249.763 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 252.73 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -3.1520322 |
| Inchi | InChI=1S/CHBr3/c2-1(3)4/h1H |
| Smiles | C(Br)(Br)Br |
| Nring | 0.0 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Trihalomethanes |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Ainsliaea Dissecta (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Platycarphella Carlinoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Pulicaria Dysenterica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Rosa Centifolia (Plant) Rel Props:Reference:https://doi.org/10.1080/0972-060x.2004.10643360 - 5. Outgoing r'ship
FOUND_INto/from Uncaria Quadrangularis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all