기본 정보
- CAS
593-85-1- 표준 SMILES
N=C(N)N.N=C(N)N.O=C(O)O- InChIKey
STIAPHVBRDNOAJ-UHFFFAOYSA-N- 분자식
- C3H12N6O3
- 평균 분자량
- 180.17 g/mol
- 단동위원소 질량
- 180.09708827
이름 및 식별자
- 우선 이름
- Guanidine carbonate
- IUPAC
- carbonic acid;bis(guanidine)
- 현지명
- 구아니딘 탄산염
- 영어명
- Guanidine carbonate
- 분자식
- C2H7N3O3
- 분자량
- 121.1
이름 및 동의어
593-85-1Guanidine carbonate saltbis carbonateDTXSID0029189V3394X3G2WguanidiniumcarbonatNSC 2171EINECS 209-813-7DiguanidiniumcarbonatUNII-V3394X3G2WAI3-14631DTXCID109189
이름 더 보기
구아니딘탄산염구아니딘탄산염구아니딘카보네이트구아니딘 카보네이트 (탄산 구아니딘)Guanidne carbonateGuanidonium-carbonatGuanidinecarbonate,98%DIGUANIDINIUM CARBONATEGuanidine carbonate salt 99%Carbonicacid,compd.withguanidine(1:2)C2H7N3O3
EC 209-813-7NSC-2171RefChem:144649GUANIDINE CARBONATE [INCI]209-813-7Guanidine carbonateGuanidinium carbonateTUXRBQHZZFVXLV-UHFFFAOYSA-N
데이터베이스 식별자
- CAS
593-85-1- PubChem CID
- 11650
- DTXSID
DTXSID0029189- ChEMBL
CHEMBL3187576- UNII
- V3394X3G2W
- EC Number
- 209-813-7
물성
구조 계산 물성
- 극성 표면적
- 209 Ų
- 수소 결합 공여자 수
- 8
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 52.5
실험 및 물리화학적 성질
Chemical ClassesNitrogen Compounds -> Other Nitrogen Compounds
CosmeticsSkin conditioning; Buffering
Physical Description
Dry Powder
White crystalline solid; [Sigma-Aldrich MSDS]
물리화학적 성질
- 녹는점
- 300 °C · >300 °C(lit.)
- 밀도
- 1.25 · 1.25
- 증기압
- 0 Pa · 0Pa at 25℃
- 저장 조건
- 30 °C · Store below +30°C.
- 용해도
- 450 g/L · 450g/L
- 물리적 상태
- 결정성 분말
- 산도 계수 (pKa)
- 12.5 · 12.5[at 20 ℃]
- 색상
- 흰색에서 거의 흰색
- 수소이온지수(pH)
- 11.7 · 11.7 (110g/l, H2O, 20℃)
- 냄새
- Faint odor
- 수용성
- 450 g/L · 450g/L(20℃)
- BRN
- 3628359 · 3628359
- 화장품 원료 기능
- 피부 컨디셔닝버퍼링
- InChI
- 1S/2CH5N3.CH2O3/c3*2-1(3)4/h2*(H5,2,3,4);(H2,2,3,4)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 321 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H302: Harmful if swallowed [Warning Acute toxicity, oral]
유해성 정보
Regulatory Information
Chemical: Carbonic acid, compound with guanidine (1:2)
Carbonic acid, compd. with guanidine (1:2) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Carbonic acid, compd. with guanidine (1:2) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: Diguanidinium carbonate (EC: 209-813-7)
Guanidinium carbonate: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA moderate eye irritant; [RTECS] A skin and strong eye irritant; Harmful by ingestion; [Sigma-Aldrich MSDS] See Guanidine.
Hazard Classes and Categories
Acute Tox. 4 (100%)
Acute toxicity (Oral) - Category 4
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- FG1750000
- 독성
- LD50 orally in Rabbit: 1045 mg/kg
화학 및 산업
용도 및 제조
Uses
Used to make fine chemicals and in consumer hair relaxer products; [ExPub: ECHA REACH Registrations]
Dressing Hair [Category: Other]
U.S. Production2023: 250,000 - <400,000 lb
Industry UsesProcessing aids not otherwise specified
Household ProductsInformation on 2 consumer products that contain Carbonic acid, compd. with guanidine (1:2) in the following categories is provided:
Use ClassificationCosmetics -> Skin conditioning; Buffering
General Manufacturing Information
Paper Manufacturing
Carbonic acid, compd. with guanidine (1:2): ACTIVE
응용 분야
용도Guanidine Carbonate is a strong organic alkali. It is used to adjust the pH of a formulation, organic intermediate, soap and cosmetic products.
제조 방법
Synthesis of guanidine carbonate: Melt double cyanide salts and ammonia to generate guanidine salts (guanidine hydrochloride, guanidine nitrate) at 170-230 ℃ . Then make guanidine salt into an alcohol solution, add soda to free guanidine, absorb carbon dioxide to obtain guanidine carbonate.
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